SCHEMBL855236

SCHEMBL855236

CC(C)c1ccc(C(C)(C)C)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1I Q9P0X4 1/20 0.38
▸ TSHR P16473 2/20 0.36
▸ LMNA P02545 2/20 0.34
▸ TYR P14679 1/20 0.34
▸ KIF11 P52732 2/20 0.34
▸ DGAT1 O75907 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ POLB P06746 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ ATM Q13315 1/20 0.31
▸ ESR1 P03372 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25735303 0.88 CACNA1I (0.37) CACNA1ITSHRLMNATYRKIF11
SCHEMBL12388696 0.84 KIF11 (0.49) CACNA1ITSHRKIF11DGAT1RAB9A
SCHEMBL1090867 0.83 OGA (0.36) CACNA1ICHRNA7ESR1ESR2
SCHEMBL20252773 0.83 PDE2A (0.35) CACNA1ICHRNA7POLB
SCHEMBL20228078 0.83 CACNA1I (0.36) CACNA1ITSHRLMNATYRKIF11
SCHEMBL24636032 0.83 CACNA1I (0.36) CACNA1ITSHRLMNATYRKIF11
SCHEMBL14946753 0.83 CACNA1I (0.42) CACNA1ITSHRLMNATYRKIF11
SCHEMBL21789532 0.83 CACNA1I (0.36) CACNA1ITSHRLMNATYRKIF11
SCHEMBL22005520 0.83 CHRNA7 (0.31) CACNA1ICHRNA7
SCHEMBL24008927 0.83 CHRNA7 (0.31) CACNA1ICHRNA7ESR1ESR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 219 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use BEIGENE SWITZERLAND GMBH (CH) 2024-06-27 — — US disclosed
WO-2024059665-A1 DIMERIC COMPOUNDS AS INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-03-21 — — WO disclosed
US-20240067779-A1 METALLOPOLYMERS AND ICLICK SYNTHESIS THEREOF UNIVERSITY OF TEXAS SAN ANTONIO (US) 2024-02-29 — — US disclosed
US-20240018162-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF NURIX THERAPEUTICS, INC. 2024-01-18 — — US disclosed
US-11864458-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2024-01-02 — — US disclosed
US-11834424-B2 Compounds useful as chaperone-mediated autophagy modulators ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2023-12-05 — — US disclosed
US-11827612-B2 Hydroxamic acid derivative, method for producing same and use thereof INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2023-11-28 — — US disclosed
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof MAZE THERAPEUTICS, INC. (US) 2023-11-14 — — US disclosed
US-20230357270-A1 TETRAHYDROISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF RED BLOOD DISORDERS AND INFLAMMATORY DISEASES SANOFI (FR) 2023-11-09 — — US disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 — — US disclosed
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 — — US disclosed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 — — US disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 — — US disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 — — US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 — — US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 — — US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 — — US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 — — US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 — — US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 CACNA1I 3724/4885TSHR 78/4885LMNA 4192/4885
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof GYS2, GYS1, PYGL CACNA1I 3093/4885TSHR 3766/4885LMNA 393/4885
US-11834424-B2 Compounds useful as chaperone-mediated autophagy modulators SQSTM1, HSPA5, ATG7 CACNA1I 3459/4885TSHR 4536/4885LMNA 3765/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CACNA1I 3257/4885TSHR 2495/4885LMNA 3024/4885
US-20230357270-A1 TETRAHYDROISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF RED BLOOD DISORDERS AND INFLAMMATORY DISEASES NFE2L2, KEAP1, NFE2 CACNA1I 4768/4885TSHR 4442/4885LMNA 2526/4885
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 CACNA1I 3005/4885TSHR 81/4885LMNA 2295/4885
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use CRBN, CDR2, CRKL CACNA1I 4092/4885TSHR 3851/4885LMNA 2226/4885
US-11864458-B2 Organic electroluminescent materials and devices RAP1A, L1CAM, SOD1 CACNA1I 877/4885TSHR 939/4885LMNA 1300/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CACNA1I 4797/4885TSHR 3319/4885LMNA 1656/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 CACNA1I 1992/4885TSHR 2802/4885LMNA 3399/4885
US-11827612-B2 Hydroxamic acid derivative, method for producing same and use thereof HACL2, NAAA, LCT CACNA1I 533/4885TSHR 3939/4885LMNA 1731/4885
US-20240018162-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF TTK, HIPK1, CLK1 CACNA1I 4858/4885TSHR 3939/4885LMNA 3927/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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