SCHEMBL47578

SCHEMBL47578

CC(C)(C)c1ccc(C(C)(C)C)nn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
HPGD P15428 1/20 0.31
KIF11 P52732 1/20 0.31
LMNA P02545 1/20 0.30
TYR P14679 1/20 0.30
GAA P10253 1/20 0.30
CCR4 P51679 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL12668141 0.91 TSHR (0.33) TSHRALDH1A1KDM4EGRNSORT1
SCHEMBL18401507 0.86 TSHR (0.31) TSHR
SCHEMBL9924167 0.86 TRPV4 (0.39) TSHRKDM4E
SCHEMBL6370770 0.86 APLNR (0.38) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL9924170 0.86 ALOX5AP (0.34) TSHRALDH1A1KDM4EGRNSORT1
SCHEMBL3177257 0.84 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDLMNAGAA
SCHEMBL21719322 0.84
SCHEMBL21719045 0.84
SCHEMBL1403724 0.84 MAOB (0.30)
SCHEMBL2627805 0.84 LMNA (0.33) TSHRALDH1A1KDM4EGRNSORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 US disclosed
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 US disclosed
US-20240228490-A1 HETEROCYCLIC DERIVATIVE INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-12016856-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2024-06-25 US disclosed
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 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-20240018162-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF NURIX THERAPEUTICS, INC. 2024-01-18 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-20230357270-A1 TETRAHYDROISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF RED BLOOD DISORDERS AND INFLAMMATORY DISEASES SANOFI (FR) 2023-11-09 US disclosed
US-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof HAISCO PHARMACEUTICALS PTE. LTD. (SG) 2023-11-07 US disclosed
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2008-03-13 US disclosed
US-7323480-B2 Substituted triazoles as modulators of PPAR and methods of their preparation METABOLEX, INC. (US) 2008-01-29 US disclosed
US-20080020127-A1 Methods and systems for coating a medical device ALLACCEM, INC. 2008-01-24 US disclosed
US-20080021212-A1 Methods and systems for preparing an antimicrobial composition ALLACCEM, INC. 2008-01-24 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20070202342-A1 Applying to an oral surface (teeth or gums)one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning; dentistry; bonding agents, resin cements, sealants ALLACCEM, INC. 2007-08-30 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
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2007-03-22 US disclosed
US-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2007-03-15 US disclosed
US-7160876-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2007-01-09 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 (13 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 TSHR 78/4885ALDH1A1 3960/4885KDM4E 1313/4885
US-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof DPP4, DPP3, DPP9 TSHR 4301/4885ALDH1A1 1267/4885KDM4E 4069/4885
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders HSD17B13, HSD17B3, HSD17B1 TSHR 2988/4885ALDH1A1 98/4885KDM4E 727/4885
US-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 TSHR 1698/4885ALDH1A1 614/4885KDM4E 2864/4885
US-20240228490-A1 HETEROCYCLIC DERIVATIVE INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WEE1, CYP51A1, WEE2 TSHR 4671/4885ALDH1A1 252/4885KDM4E 2645/4885
US-20080021212-A1 Methods and systems for preparing an antimicrobial composition DNMT1, TET2, POLR1C TSHR 4830/4885ALDH1A1 2775/4885KDM4E 331/4885
US-20230357270-A1 TETRAHYDROISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF RED BLOOD DISORDERS AND INFLAMMATORY DISEASES NFE2L2, KEAP1, NFE2 TSHR 4442/4885ALDH1A1 1088/4885KDM4E 2481/4885
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives IDO1, IDO2, HTR3C TSHR 1515/4885ALDH1A1 255/4885KDM4E 2496/4885
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS DDB1, DCLRE1A, MDM2 TSHR 3370/4885ALDH1A1 1427/4885KDM4E 786/4885
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 TSHR 1590/4885ALDH1A1 533/4885KDM4E 3017/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET TSHR 1253/4885ALDH1A1 3139/4885KDM4E 2282/4885
US-20240018162-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF TTK, HIPK1, CLK1 TSHR 3939/4885ALDH1A1 3226/4885KDM4E 1185/4885
US-12016856-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders SLC10A1, SLC10A2, FABP3 TSHR 680/4885ALDH1A1 2512/4885KDM4E 4631/4885

“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.