SCHEMBL9955665

SCHEMBL9955665

Cc1ccc(-c2ncccn2)c(C=O)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.38
HCRTR2 O43614 9/20 0.37
HCRTR1 O43613 8/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.35
HTR2B P41595 1/20 0.33
BRD4 O60885 1/20 0.33
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BRAF P15056 1/20 0.32

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
SCHEMBL29912137 1.00 S100A4 (0.38) S100A4HCRTR2HCRTR1NPC1TP53
SCHEMBL31336829 0.88 BRD4 (0.31) HCRTR2HCRTR1BRD4ALDH1A1
SCHEMBL9955492 0.81 NPC1 (0.46) NPC1TP53HPGDRAB9ASMN1; SMN2
SCHEMBL9953968 0.76 S100A4 (0.39) S100A4HTR2B
SCHEMBL10262761 0.75 BRAF (0.45) S100A4HCRTR2HCRTR1NPC1TP53
SCHEMBL20578689 0.75 S100A4 (0.41) S100A4NPC1TP53RAB9ASMN1; SMN2
SCHEMBL31336841 0.74 CCR1 (0.35) CCR1CCR8
SCHEMBL16279826 0.73 CYP2A6 (0.53) NPC1RAB9AALDH1A1
SCHEMBL20135913 0.73 BRD4 (0.38) S100A4HCRTR2HCRTR1NPC1TP53
SCHEMBL27728631 0.73 DHODH (0.38) S100A4HCRTR2HCRTR1NPC1TP53

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3414241-B1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2022-05-04 EP claimed
CN-109219606-B Halogen substituted piperidines as orexin receptor modulators 阿斯利康(瑞典)有限公司 2021-10-01 CN claimed
EP-3191468-B1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-12-12 EP claimed
EP-2970207-B1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-16 EP claimed
CN-110669052-B Substituted 2-azabicyclic compounds and their use as orexin receptor modulators 詹森药业有限公司 2022-10-11 CN disclosed
CN-109219606-B Halogen substituted piperidines as orexin receptor modulators 阿斯利康(瑞典)有限公司 2021-10-01 CN disclosed
CN-107108566-B Substituted 2-azabicyclic compounds and their use as orexin receptor modulators 詹森药业有限公司 2020-11-24 CN disclosed
CN-110669052-A Substituted 2-azabicyclic compounds and their use as orexin receptor modulators 詹森药业有限公司 2020-01-10 CN disclosed
EP-3191468-A1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica, N.V. (BE) 2017-07-19 EP disclosed
US-9499517-B2 Substituted prolines / piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2016-11-22 US disclosed
WO-2016040789-A1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 WO disclosed
US-20140364432-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-11 US disclosed
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO 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 (1 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-20140364432-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OPRL1 S100A4 4785/4885HCRTR2 1/4885HCRTR1 2/4885

“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.