SCHEMBL19756702

SCHEMBL19756702

Cc1cc2ccc3c(c2s1)CCCO3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.46
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
HTR2C P28335 9/20 0.34
HTR2A P28223 7/20 0.34
HTR2B P41595 7/20 0.34
HTR1A P08908 6/20 0.34
HTR1D P28221 5/20 0.34
HTR6 P50406 2/20 0.33
HTR4 Q13639 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
HTR1B P28222 1/20 0.33
HTR7 P34969 1/20 0.33
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL19776272 0.90 CHRNA7 (0.38) CHRNA7MTNR1AMTNR1BNPC1ALDH1A1
SCHEMBL21468887 0.81 CHRNA7 (0.43) CHRNA7MTNR1AMTNR1BNPC1ALDH1A1
SCHEMBL19739924 0.77 CHRNA7 (0.55) CHRNA7MTNR1AMTNR1BNPC1ALDH1A1
SCHEMBL19756742 0.76 CHRNA7 (0.42) CHRNA7MTNR1AMTNR1BHTR2CHTR2A
SCHEMBL19776276 0.76 CD274 (0.37) NPC1ALDH1A1RAB9AADRA2AADRA2C
SCHEMBL19740288 0.76 CHRNA7 (0.57) CHRNA7MTNR1AMTNR1BNPC1ALDH1A1
SCHEMBL19756699 0.75 CHRNA7 (0.44) CHRNA7
SCHEMBL19756703 0.73 CYP2A6 (0.37) CHRNA7MTNR1AMTNR1BNPC1ALDH1A1
SCHEMBL21468888 0.72 CHRNA7 (0.36) CHRNA7MTNR1AMTNR1BALDH1A1HTR2C
SCHEMBL1143507 0.71 HTR2C (0.45) MTNR1AMTNR1BHTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018013776-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed
US-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (CH) 2017-12-28 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-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA6, CHRNA5 CHRNA7 1/4885MTNR1A 640/4885MTNR1B 799/4885

“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.