SCHEMBL4701301

SCHEMBL4701301

O=C(c1csc(-c2ccco2)c1)N1CCN2CCC1CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.57
HTR3A P46098 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CHRNA3 P32297 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4700008 0.81 CHRNA7 (0.54) CHRNA7HTR3ACHRNA3HTR3EHTR3B
SCHEMBL4701548 0.81 CHRNA7 (0.62) CHRNA7HTR3ANPC1RAB9ACHRNA3
SCHEMBL4700021 0.80 CHRNA7 (0.45) CHRNA7HTR3ACHRNA3HTR3EHTR3B
SCHEMBL4704311 0.80 CHRNA7 (0.64) CHRNA7HTR3AALDH1A1TSHRNPSR1
SCHEMBL4704581 0.80 CHRNA7 (0.57) CHRNA7HTR3ANPC1RAB9ACHRNA3
SCHEMBL4702367 0.80 CHRNA7 (0.45) CHRNA7HTR3ACHRNA3HTR3EHTR3B
SCHEMBL4700166 0.79 CHRNA7 (0.60) CHRNA7HTR3ANPC1RAB9ACHRNA3
SCHEMBL4702689 0.79 CHRNA7 (0.60) CHRNA7HTR3APOLB
SCHEMBL4701182 0.78 CHRNA7 (0.42) CHRNA7HTR3ACHRNA3HTR3EHTR3B
SCHEMBL4702385 0.77 CHRNA7 (0.41) CHRNA7HTR3ACHRNA3HTR3EHTR3B

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 CHRNA7 6/4885HTR3A 162/4885NPC1 1932/4885

“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.