SCHEMBL19737282

SCHEMBL19737282

CCOC(=O)c1cc2n(n1)CCCn1nccc1-2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 2/20 0.40
CA9 Q16790 2/20 0.39
PIK3CA P42336 1/20 0.39
GAA P10253 1/20 0.39
JMJD6 Q6NYC1 1/20 0.38
CHRNA7 P36544 1/20 0.38

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
SCHEMBL6385372 0.79 CYP1A2 (0.44) FAAHNPC1RAB9AKDM4ERXFP1
SCHEMBL21206421 0.78 KMT2A (0.38) FAAHKMT2ACHRNA7
SCHEMBL6384282 0.78 FAAH (0.40) FAAHNPC1RAB9AKDM4ERXFP1
SCHEMBL6381453 0.78 ALDH1A1 (0.42) FAAHNPC1RAB9AKDM4ERXFP1
SCHEMBL6380218 0.77 NPC1 (0.40) FAAHNPC1RAB9AKDM4ERXFP1
SCHEMBL12797113 0.76 GABRP (0.47) FAAHKDM4ECYP1A2KMT2ACA9
SCHEMBL12797201 0.76 CYP11B2 (0.41) FAAHNPC1RAB9AKDM4ERXFP1
SCHEMBL2520510 0.75 CDC7 (0.46) CYP1A2KMT2AJMJD6
SCHEMBL2929174 0.74 NPC1 (0.41) NPC1RAB9AKDM4ERXFP1CYP1A2
SCHEMBL20926086 0.74 KMT2A (0.35) FAAHKMT2ACHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654868-B2 Dihydropyrazole azepine compound serving as Akt inhibitor Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2020-05-19 US disclosed
US-10654868-B2 Dihydropyrazole azepine compound serving as Akt inhibitor Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2020-05-19 US disclosed
US-20190233434-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2019-08-01 US disclosed
US-20190233434-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2019-08-01 US disclosed
EP-3473628-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR Medshine Discovery Inc. (CN) 2019-04-24 EP disclosed
WO-2017215588-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR 南京明德新药研发股份有限公司 2017-12-21 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 (2 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-10654868-B2 Dihydropyrazole azepine compound serving as Akt inhibitor AKT3, AKT2, AKT1 FAAH 4526/4885NPC1 554/4885RAB9A 290/4885
US-20190233434-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR AKT3, AKT2, AKT1 FAAH 4526/4885NPC1 554/4885RAB9A 290/4885

“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.