SCHEMBL4701403

SCHEMBL4701403

O=C(c1ccc(-c2cccs2)cc1)N1CCN2CCC1CC2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.54
BCR P11274 4/20 0.54
TACR3 P29371 14/20 0.49
KCNH2 Q12809 8/20 0.49
ERG P11308 3/20 0.49
CYP1A2 P05177 6/20 0.48
CYP3A4 P08684 6/20 0.48
CYP2C9 P11712 6/20 0.48
CYP2C19 P33261 6/20 0.48
CYP2D6 P10635 3/20 0.48
TACR2 P21452 3/20 0.48
TACR1 P25103 3/20 0.48
CHRNA7 P36544 1/20 0.47

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
SCHEMBL4702400 0.89 ABL1 (0.47) ABL1BCRTACR3KCNH2ERG
SCHEMBL4700021 0.82 CHRNA7 (0.45) CHRNA7
SCHEMBL4702987 0.81 CHRNA7 (0.44) ABL1BCRCHRNA7
SCHEMBL4700437 0.81 CHRNA7 (0.55) CHRNA7
SCHEMBL4703166 0.81 CHRNA7 (0.49) TACR3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4702404 0.80 CHRNA7 (0.54) ABL1BCRTACR3CHRNA7
SCHEMBL4705060 0.79 CHRNA7 (0.48) CHRNA7
SCHEMBL4701453 0.79 ALDH1A1 (0.56) CHRNA7
SCHEMBL4701749 0.78 CHRNA7 (0.45) CHRNA7
SCHEMBL4030570 0.77 CHRNA7 (0.60) 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
EP-1539765-B1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2008-12-10 EP claimed
US-20050239774-A1 Biaryl diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2005-10-27 US claimed
EP-1539765-B1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2008-12-10 EP disclosed
US-20050239774-A1 Biaryl diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2005-10-27 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-20050239774-A1 Biaryl diazabicycloalkane amides as nicotinic acetylcholine agonists CHRNA1, CHRNB1, CHRNA2 ABL1 3065/4885BCR 2646/4885TACR3 87/4885

“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.