SCHEMBL19756643

SCHEMBL19756643

COc1ccc(Cl)c(Cl)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.46
HTR2C P28335 6/20 0.46
HTR2B P41595 6/20 0.46
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
S1PR4 O95977 1/20 0.39
HSP90AA1 P07900 1/20 0.39
G6PD P11413 1/20 0.39
S1PR1 P21453 1/20 0.39
OPRK1 P41145 1/20 0.39
HTT P42858 1/20 0.39
CACNA1B Q00975 1/20 0.39

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
SCHEMBL19756651 0.86 MAPT (0.41) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL7939404 0.84 HTR2A (0.47) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL19756656 0.82 HTR2A (0.46) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL24724645 0.80 MEP1B (0.44) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL12957891 0.80 HTR2A (0.41) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL18494758 0.80 TUBB1 (0.41) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL23723768 0.78 ALDH1A1 (0.41) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL27192441 0.78 HTR2A (0.41) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL25237243 0.78 HTR2A (0.41) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL6736267 0.78 HTR2A (0.44) HTR2AHTR2CHTR2BALDH1A1MEN1

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
US-20180134696-A1 Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2018-05-17 US 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 (2 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 HTR2A 1434/4885HTR2C 1138/4885HTR2B 1422/4885
US-20180134696-A1 Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors CHRNA7, CHRNA5, CHRNA2 HTR2A 455/4885HTR2C 296/4885HTR2B 134/4885

“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.