SCHEMBL87098

SCHEMBL87098

COC1(C)CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 4/20 0.40
SCN2A Q99250 4/20 0.40
SCN3A Q9NY46 4/20 0.40
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD11B1 P28845 3/20 0.33
OPRD1 P41143 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
SCHEMBL11947851 0.85 TSHR (0.33) SCN1ASCN2ASCN3AGAAMAPK1
SCHEMBL18612405 0.84
SCHEMBL22436111 0.84
SCHEMBL18612406 0.84
SCHEMBL27291719 0.76 HSD11B1 (0.32) HSD11B1
SCHEMBL21427114 0.76 HSD11B1 (0.32) HSD11B1
SCHEMBL12441264 0.76 SCN1A (0.39) SCN1ASCN2ASCN3A
SCHEMBL2620631 0.75
SCHEMBL12051431 0.74 GAA (0.35) GAAMAPK1
SCHEMBL24316187 0.74 KDM4E (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400497-A1 3CLPRO PROTEASE INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-07-17 EP disclosed
WO-2024141757-A1 LSD1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2024-07-04 WO disclosed
WO-2024059808-A1 WEE1 INHIBITORS AND METHODS FOR TREATING CANCER RECURIUM IP HOLDINGS, LLC (US) 2024-03-21 WO disclosed
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
WO-2024026056-A2 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-02-01 WO disclosed
WO-2023225634-A2 METHODS FOR THE ENHANCEMENT OF THERAPEUTIC EFFECT OF CAR-T CELLS IMAGO BIOSCIENCES, INC. (US) 2023-11-23 WO disclosed
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 US disclosed
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 US disclosed
US-20230357249-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS WITH A TRICYCLIC CEREBLON LIGAND UNIV MICHIGAN REGENTS (US) 2023-11-09 US disclosed
EP-2383259-A1 New pyridone derivatives with MCH antagonistic activity and medicaments comprising these compounds Boehringer Ingelheim International GmbH (DE) 2011-11-02 EP disclosed
US-7820700-B2 2-phenylpyridine derivative ASTELLAS PHARMA INC. (JP) 2010-10-26 US disclosed
US-20100145041-A1 Thiazolyl-dihydro-quinazoline compounds and processes for preparing same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
US-7691868-B2 N-{8-[2-chloro-5-(3-methylamino-prop-1-ynyl)-phenyl]-4,5-dihydro-thiazolo[4,5-h]quinazolin-2-yl}-acetamide; PI3-kinase modulators for the treatment of inflammatory or allergic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 US disclosed
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2009-02-05 US disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
WO-2008022979-A1 NEW PYRIDONE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed
US-20070275950-A1 2-Phenylpyridine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-29 US disclosed
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 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 (9 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-20100145041-A1 Thiazolyl-dihydro-quinazoline compounds and processes for preparing same QDPR, NQO2, DHPS SCN1A 2365/4885SCN2A 2887/4885SCN3A 2773/4885
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE SPTLC1, SPTLC2, CPT1A SCN1A 3075/4885SCN2A 3329/4885SCN3A 4285/4885
US-20070275950-A1 2-Phenylpyridine Derivative NLRP3, XDH, UACA SCN1A 3192/4885SCN2A 2542/4885SCN3A 3255/4885
US-20230357249-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS WITH A TRICYCLIC CEREBLON LIGAND AR, GPER1, CRBN SCN1A 2338/4885SCN2A 3395/4885SCN3A 3324/4885
US-11912708-B2 Macrocyclic heterocycles and uses thereof HRAS, KRAS, TP53 SCN1A 2538/4885SCN2A 2292/4885SCN3A 2027/4885
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN SCN1A 4202/4885SCN2A 4545/4885SCN3A 4401/4885
US-20090192156-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA SCN1A 2185/4885SCN2A 2379/4885SCN3A 2665/4885
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 SCN1A 2074/4885SCN2A 2737/4885SCN3A 2457/4885
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE QDPR, NQO2, CYP3A4 SCN1A 1829/4885SCN2A 2252/4885SCN3A 1985/4885

“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.