SCHEMBL19737067

SCHEMBL19737067

CN(C)C[C@@H](N)Cc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.53
SLC1A1 P43005 2/20 0.48
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
DPP4 P27487 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
AOC3 Q16853 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
PNMT P11086 1/20 0.39
RIPK1 Q13546 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
SCHEMBL10209865 0.81 MAOA (0.43) TAAR1PNMT
SCHEMBL10209866 0.81 MAOA (0.43) TAAR1PNMT
SCHEMBL21417631 0.81 SLC1A1 (0.51) TAAR1SLC1A1IDO1AGXTDPP4
SCHEMBL17801903 0.80 TAAR1 (0.53) TAAR1IDO1AGXTPNMTRIPK1
SCHEMBL12556145 0.80 PNMT (0.64) TAAR1IDO1AGXTAOC3PNMT
SCHEMBL3130819 0.79 SLC1A1 (0.50) TAAR1SLC1A1IDO1AGXTDPP4
SCHEMBL7458228 0.79 TAAR1 (0.55) TAAR1SLC1A1IDO1AGXTDPP4
Hydrochloric Acid SCHEMBL1764749 0.79 PNMT (0.62) TAAR1IDO1AGXTAOC3PNMT
Hydrochloric Acid SCHEMBL1764747 0.79 PNMT (0.62) TAAR1IDO1AGXTAOC3PNMT
SCHEMBL172909 0.78 EPHX1 (0.64) TAAR1HTR2A

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 4 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-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 TAAR1 4800/4885SLC1A1 2182/4885IDO1 2965/4885
US-20190233434-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR AKT3, AKT2, AKT1 TAAR1 4800/4885SLC1A1 2182/4885IDO1 2965/4885

“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.