SCHEMBL6500073

SCHEMBL6500073

Cc1ccc(C(=O)NC2CC3CC2CN3)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
F10 P00742 1/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 1/20 0.40
DAO P14920 1/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL6494461 0.84 F10 (0.48) F10HPGD
SCHEMBL6498214 0.84 HPGD (0.51) NPC1RAB9AKMT2APOLBTDP1
SCHEMBL6501624 0.83 RXFP1 (0.47) NPC1RAB9ACHRNA7ALDH1A1SMN1; SMN2
SCHEMBL6496605 0.82 HPGD (0.49) CHRNA7HPGD
SCHEMBL6486616 0.81 CHRNA7 (0.58) NPC1RAB9AKMT2APOLBCHRNB2
SCHEMBL6490374 0.81 RXFP1 (0.48) NPC1RAB9ACHRNA7ALDH1A1SMN1; SMN2
SCHEMBL6498888 0.79 ESRRG (0.55) CHRNA7
SCHEMBL6487416 0.78 CHRNA7 (0.47) NPC1RAB9ACHRNA7ALDH1A1HPGD
SCHEMBL6485603 0.78 KDM4E (0.51) NPC1RAB9AKMT2ACHRNA7ALDH1A1
SCHEMBL6499988 0.78 CHRNA7 (0.47) CHRNA7

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-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 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 (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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 NPC1 224/4885RAB9A 1437/4885TAS1R3 4638/4885

“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.