SCHEMBL6100217

SCHEMBL6100217

COc1ccnc(C(=O)N[C@@H]2CC3CCN(CC3)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.54
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
KDR P35968 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP30 Q70CQ3 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41

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
SCHEMBL6101110 0.94 CHRNA7 (0.61) CHRNA7CHRNB2CHRNA4KDRNOS3
SCHEMBL6101120 0.94 CHRNA7 (0.61) CHRNA7CHRNB2CHRNA4KDRNOS3
SCHEMBL6100400 0.84 CHRNA7 (0.57) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6099349 0.83 CHRNA7 (0.60) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6100780 0.82 CHRNA7 (0.52) CHRNA7HPGDSMN1; SMN2USP30HTR3E
SCHEMBL6099888 0.80 CHRNA7 (0.53) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL19215270 0.79 KDR (0.61) KDRNPC1RAB9AKMT2AALDH1A1
SCHEMBL6098386 0.79 CHRNA7 (0.64) CHRNA7
SCHEMBL6098389 0.79 CHRNA7 (0.64) CHRNA7
SCHEMBL6102229 0.78 GRM5 (0.63) CHRNA7KMT2AUSP30SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US claimed
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP claimed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO 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 CHRNA7 1836/4885CHRNB2 2627/4885CHRNA4 2863/4885

“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.