SCHEMBL1694606

SCHEMBL1694606

CC(C)c1ccc(C(C)(C)C)nc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.38
IDH1 O75874 2/20 0.35
LMNA P02545 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TYR P14679 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
HSD11B1 P28845 1/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2D6 P10635 1/20 0.31
HIF1A Q16665 1/20 0.31
NR1I2 O75469 1/20 0.30
TRPV4 Q9HBA0 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
SCHEMBL12958783 0.86 NR1I2 (0.39) CHRNA7IDH1CYP2C9NR1I2
SCHEMBL24618209 0.85 IDH1 (0.34) CHRNA7IDH1CYP2C9NR1I2TRPV4
SCHEMBL14846920 0.83 PDE2A (0.40) CHRNA7IDH1
SCHEMBL21789264 0.83 IDH1 (0.34) IDH1TRPV4
SCHEMBL17775927 0.83 TRPV4 (0.36) CHRNA7LMNANPC1RAB9ASMN1; SMN2
SCHEMBL12868052 0.83 UGT2B7 (0.34) IDH1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL20857362 0.83 CHRNA7 (0.36) CHRNA7LMNANPC1RAB9ASMN1; SMN2
SCHEMBL21675886 0.83 CHRNA7 (0.39) CHRNA7LMNANPC1RAB9ASMN1; SMN2
SCHEMBL8253665 0.83 PDE4A (0.39) CHRNA7LMNANPC1RAB9ASMN1; SMN2
SCHEMBL15435342 0.83 IDH1 (0.34) IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216515-A1 COMPOSITIONS AND METHODS FOR TARGETED DELIVERY TO CELLS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2024-07-04 US disclosed
WO-2024105635-A1 USES OF ZLN-005 AND RELATED COMPOUNDS KYOTO PREFECTURAL UNIVERSITY OF MEDICINE (JP) 2024-05-23 WO disclosed
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed
US-20240018156-A1 SPIROCYCLIC COMPOUNDS C4 THERAPEUTICS, INC. (US) 2024-01-18 US disclosed
WO-2023244685-A1 TREATMENT OF AGING-RELATED CHANGES AND DISEASES TRANQUIS THERAPEUTICS, INC. (US) 2023-12-21 WO 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-11814338-B2 Pyrazolyl and pyrimidinyl tricyclic enones as antioxidant inflammation modulators REATA PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230357244-A1 FXR SMALL-MOLECULE AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-11-09 US disclosed
US-20230346955-A1 COMPOUNDS FOR DEGRADING TAU PROTEIN AGGREGATES AND USES THEREOF APRINOIA THERAPEUTICS LIMITED (CN) 2023-11-02 US disclosed
WO-2023205401-A1 TREATMENT OF DISEASES ASSOCIATED WITH REDUCTIVE STRESS Rdiscovery, LLC (US) 2023-10-26 WO disclosed
US-20100004280-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators ALBANY MOLECULAR RESEARCH, INC. 2010-01-07 US disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-7592478-B2 Ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-09-22 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7524862-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-28 US disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 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-20080213347-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. 2008-09-04 US disclosed
US-7348449-B2 Ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-03-25 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 (10 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-20100004280-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR CHRNA7 569/4885IDH1 4843/4885LMNA 3141/4885
US-20240018156-A1 SPIROCYCLIC COMPOUNDS CRBN, XIAP, RBX1 CHRNA7 3126/4885IDH1 239/4885LMNA 2437/4885
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 CHRNA7 403/4885IDH1 2802/4885LMNA 2295/4885
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 CHRNA7 351/4885IDH1 2744/4885LMNA 3002/4885
US-11814338-B2 Pyrazolyl and pyrimidinyl tricyclic enones as antioxidant inflammation modulators GPX4, MPO, GPX1 CHRNA7 4062/4885IDH1 3201/4885LMNA 3859/4885
US-20240216515-A1 COMPOSITIONS AND METHODS FOR TARGETED DELIVERY TO CELLS PNLIP, LIPA, PHOSPHO1 CHRNA7 2116/4885IDH1 3215/4885LMNA 164/4885
US-20230346955-A1 COMPOUNDS FOR DEGRADING TAU PROTEIN AGGREGATES AND USES THEREOF MAPT, PRNP, APP CHRNA7 2450/4885IDH1 840/4885LMNA 1837/4885
US-20230357244-A1 FXR SMALL-MOLECULE AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF FXR1, NR1H4, FXR2 CHRNA7 1568/4885IDH1 4615/4885LMNA 4460/4885
US-20080213347-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof RARB, RARG, RARA CHRNA7 595/4885IDH1 2296/4885LMNA 4594/4885
US-11827612-B2 Hydroxamic acid derivative, method for producing same and use thereof HACL2, NAAA, LCT CHRNA7 4468/4885IDH1 1108/4885LMNA 1731/4885

“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.