SCHEMBL6490046

SCHEMBL6490046

Cc1cccc(-c2ccc(C(=O)N[C@H]3CN4CCC3CC4C)o2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
CHRNA7 P36544 6/20 0.44
SLC9A1 P19634 1/20 0.42
KCNH2 Q12809 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
C3AR1 Q16581 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.40
HTR3A P46098 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
S1PR4 O95977 1/20 0.38

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
SCHEMBL6488858 0.90 ALDH1A1 (0.46) ALDH1A1POLBCHRNA7CHRNB2CHRNA4
SCHEMBL6487200 0.90 ALDH1A1 (0.45) ALDH1A1POLBCHRNA7CHRNB2CHRNA4
SCHEMBL6487435 0.90 NR4A1 (0.46) ALDH1A1POLBCHRNA7SLC9A1CHRNB2
SCHEMBL6487775 0.90 ALDH1A1 (0.50) ALDH1A1POLBNPC1RAB9AMEN1
SCHEMBL6500251 0.90 ALDH1A1 (0.45) ALDH1A1POLBCHRNA7SLC9A1CHRNB2
SCHEMBL6497753 0.89 ALDH1A1 (0.52) ALDH1A1POLBCHRNA7CHRNB2CHRNA4
SCHEMBL6500481 0.88 ALDH1A1 (0.53) ALDH1A1POLBCHRNA7KCNH2CHRNB2
SCHEMBL6491368 0.88 NQO2 (0.47) ALDH1A1POLBCHRNA7KCNH2CHRNB2
SCHEMBL4193845 0.85 ALDH1A1 (0.62) ALDH1A1POLBCHRNA7HTR3A
SCHEMBL4193847 0.85 ALDH1A1 (0.62) ALDH1A1POLBCHRNA7HTR3A

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 ALDH1A1 625/4885POLB 1370/4885CHRNA7 1097/4885

“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.