SCHEMBL6098618

SCHEMBL6098618

COc1ccnc(C(=O)NC2CC3CC2CN3)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.40
PYGL P06737 3/20 0.39
PYGM P11217 3/20 0.39
GRM4 Q14833 1/20 0.39
RIPK1 Q13546 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.36
CSF1R P07333 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
KDR P35968 2/20 0.36

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
SCHEMBL6099266 0.84 ABL1 (0.41) SMYD3
SCHEMBL6099485 0.82 NPC1 (0.39) GRM5GRM4NPC1RAB9ASMYD3
SCHEMBL6101485 0.80 GRM5 (0.40) GRM5PYGLPYGMGRM4RIPK1
SCHEMBL6099488 0.80 HTR4 (0.41) GRM5PYGLPYGMRIPK1KDR
SCHEMBL6098568 0.79 GRM5 (0.53) GRM5RAB9AMAPTKDM4ESMYD3
SCHEMBL6101288 0.78 TAS1R3 (0.36) GRM4
SCHEMBL6100239 0.77 HCRTR1 (0.37) KDM4E
SCHEMBL6098763 0.76 SMYD3 (0.52) NPC1RAB9AKDM4ESMYD3
SCHEMBL843759 0.76 CHRNA7 (0.60) SMYD3
SCHEMBL6309407 0.76 PGR (0.49) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 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-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 GRM5 1965/4885PYGL 2479/4885PYGM 4475/4885

“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.