SCHEMBL843696

SCHEMBL843696

O=C(NC1CC2CNC1C2)c1cc2cccnc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.49
NAMPT P43490 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 1/20 0.36
HTR3A P46098 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CYP2A6 P11509 2/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
RIPK1 Q13546 1/20 0.34
CHRNA1 P02708 1/20 0.34

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
SCHEMBL843369 0.83 GRIN3B (0.45) CHRNA7NAMPTNPC1RAB9ACNR2
SCHEMBL843584 0.81 CHRNA7 (0.53) CHRNA7NAMPTNPC1RAB9AKMT2A
SCHEMBL842822 0.78 CHRNA7 (0.51) CHRNA7NAMPTHTR3AHTR3EHTR3B
SCHEMBL842912 0.78 CHRNA7 (0.41) CHRNA7NAMPTRAB9AKMT2ACNR2
SCHEMBL6099187 0.77 HTR3A (0.56) CHRNA7NPC1RAB9AHTR3AALDH1A1
SCHEMBL842687 0.76 POLB (0.37) CHRNA7NPC1RAB9AKMT2ACNR2
SCHEMBL6097532 0.76 GRM5 (0.39) CHRNA7CNR2ALDH1A1CHRNB2CHRNB4
SCHEMBL6099596 0.74 GRM5 (0.56) CHRNA7RAB9AKMT2AKDM4EALDH1A1
SCHEMBL843673 0.74 CHRNA7 (0.35) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5518301 0.74 CHRNA7 (0.56) CHRNA7NAMPTNPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP claimed
US-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC 2005-10-20 US claimed
EP-1432707-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-06-30 EP claimed
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-08-14 US claimed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 WO claimed
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP disclosed
US-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC 2005-10-20 US disclosed
US-20050222196-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC. 2005-10-06 US disclosed
US-6911543-B2 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PFIZER INC. (US) 2005-06-28 US disclosed
EP-1432707-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-06-30 EP disclosed
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-08-14 US disclosed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 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 (3 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-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 CHRNA7 5/4885NAMPT 1504/4885NPC1 131/4885
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease MALT1, TPMT, ABCB1 CHRNA7 1401/4885NAMPT 1061/4885NPC1 114/4885
US-20050222196-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 CHRNA7 5/4885NAMPT 1504/4885NPC1 131/4885

“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.