SCHEMBL9951530

SCHEMBL9951530

Oc1ccc2[nH]nnc2c1Cl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
GRM4 Q14833 1/20 0.33
IDO1 P14902 1/20 0.32
KDM4E B2RXH2 1/20 0.32
BRD4 O60885 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
TSHR P16473 1/20 0.31
AR P10275 1/20 0.31
PIM1 P11309 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
SCHEMBL5968352 0.79 GRM4 (0.32) CYP3A4MAPK1GRM4LMNAMAPT
SCHEMBL378661 0.79 FGFR1 (0.30)
SCHEMBL5613530 0.78 IDO1 (0.38) IDO1MAPT
SCHEMBL1154416 0.76
SCHEMBL21313860 0.76 HTR2A (0.31)
SCHEMBL1020657 0.76 GRM4 (0.33) GRM4
SCHEMBL6267453 0.76 HPGD (0.37) CYP3A4HSP90AA1TSHR
SCHEMBL8622721 0.76 ADRB2 (0.33) KDM4E
SCHEMBL2995564 0.76 DPP4 (0.36) CYP3A4GRM4KDM4EBRD4LMNA
SCHEMBL9172776 0.74 DPP4 (0.35) CYP3A4GRM4KDM4EBRD4LMNA

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-20150112084-A1 PROCESS FOR PREPARATION OF (IS, 3S, 5S)-2-[(2S)-2-AMIN0-2-(3-HYDROXY-l-ADAMANTYL) ACETYL]-2-AZABICYCLO [3.1.0] HEXANE-3-CARBONITRILE DAVULURI, RAMAMOHAN RAO (IN) 2015-04-23 US claimed
EP-2855432-A1 PROCESS FOR PREPARATION OF (1S, 3S, 5S)-2-[(2S)-2-AMINO-2-(3-HYDROXY-1-ADAMANTYL) ACETYL]-2-AZABICYCLO [3.1.0]HEXANE-3-CARBONITRILE Davuluri, Ramamohan Rao (IN) 2015-04-08 EP claimed
WO-2013179297-A1 PROCESS FOR PREPARATION OF (1S, 3S, 5S)-2-[(2S)-2-AMINO-2-(3-HYDROXY-1-ADAMANTYL) ACETYL]-2-AZABICYCLO [3.1.0] HEXANE-3-CARBONITRILE RAO DAVULURI RAMAMOHAN (IN) 2013-12-05 WO claimed
EP-2655527-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS ALLNEX AUSTRIA GmbH (AT) 2013-10-30 EP claimed
WO-2012085016-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2012-06-28 WO claimed
US-20090182057-A1 DEUTERATED AMINOGLYCIDAL COMPOUNDS AUSPEX PHARMACEUTICALS, INC. (US) 2009-07-16 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 (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-20090182057-A1 DEUTERATED AMINOGLYCIDAL COMPOUNDS ADRB2, GLRB, ADRB1 CYP3A4 1580/4885MAPK1 3793/4885GRM4 2776/4885
US-20150112084-A1 PROCESS FOR PREPARATION OF (IS, 3S, 5S)-2-[(2S)-2-AMIN0-2-(3-HYDROXY-l-ADAMANTYL) ACETYL]-2-AZABICYCLO [3.1.0] HEXANE-3-CARBONITRILE DPP4, DPP3, DPP9 CYP3A4 80/4885MAPK1 1324/4885GRM4 3350/4885

“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.