SCHEMBL5800488

SCHEMBL5800488

COc1ccccc1NCCN

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.62
CA12 O43570 2/20 0.50
CA4 P22748 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA3 P07451 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
RECQL P46063 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 4/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL335313 0.89 CHRM2 (0.68) CHRM2ALDH1A1TAAR1L3MBTL1MAPT
SCHEMBL19442421 0.87 CHRM2 (0.71) CHRM2ALDH1A1TAAR1L3MBTL1MAPT
SCHEMBL10885547 0.84 CA12 (0.53) CHRM2CA12CA4CA7CA9
SCHEMBL1644001 0.82 CHRM2 (0.64) CHRM2CA12CA4CA7CA9
SCHEMBL24267803 0.82 CHRM2 (0.82) CHRM2TSHRRECQLMAPT
SCHEMBL20232445 0.82 CHRM2 (0.82) CHRM2TSHRRECQLMAPT
SCHEMBL4860536 0.81 GAA (0.50) CHRM2CA12CA4CA7CA9
SCHEMBL11696198 0.81 CHRM2 (0.58) CHRM2ALDH1A1RECQLL3MBTL1MAPT
SCHEMBL3073595 0.81 CHRM2 (0.62) CHRM2ALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL4168734 0.81 CHRM2 (0.62) CHRM2CA12CA4CA7CA9

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111440205-B Biboric acid diol ester, preparation method thereof, intermediate thereof and application thereof 中国科学院上海有机化学研究所 2022-10-04 CN disclosed
US-20220144818-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2022-05-12 US disclosed
EP-2938608-B1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD BURNHAM MED RES INST (US) 2021-08-04 EP disclosed
EP-3347341-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-04-28 EP disclosed
WO-2020210308-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2020-10-15 WO disclosed
EP-3708169-A1 2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY Agios Pharmaceuticals, Inc. (US) 2020-09-16 EP disclosed
CN-111440205-A Biboric acid diol ester, preparation method thereof, intermediate thereof and application thereof 中国科学院上海有机化学研究所 2020-07-24 CN disclosed
EP-3241554-B1 QUINOLINE-8-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY AGIOS PHARMACEUTICALS INC (US) 2020-01-29 EP disclosed
US-9868707-B2 Small molecule agonists of neurotensin receptor 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-01-16 US disclosed
EP-3241554-A1 QUINOLINE-8-SULFONAMIDE DERIVATES HAVING AN ANTICANCER ACTIVITY Agios Pharmaceuticals, Inc. (US) 2017-11-08 EP disclosed
US-7915420-B2 Aryl piperidine amides JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-20080009521-A1 Aryl Piperidine Amides HUANG CHARLES Q 2008-01-10 US disclosed
US-7276610-B2 Aryl piperidine amides JANSSEN PHARACEUTICA, NV (BE) 2007-10-02 US disclosed
WO-2006117760-A1 ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed
WO-2006051399-A1 PIPERAZINE DERIVATIVES USEFUL AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-05-18 WO disclosed
EP-0111073-B1 PROCESS FOR THE PREPARATION OF 2-IMIDAZOLINES BASF Aktiengesellschaft (DE) 1987-02-25 EP disclosed
EP-0114374-B1 SUBSTITUTED 4-AMINOMETHYLENE CHROMANS OR CHROMENES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1986-07-23 EP disclosed
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
EP-0114374-A1 Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines BAYER AG (DE) 1984-08-01 EP disclosed
EP-0111073-A1 Process for the preparation of 2-imidazolines BASF Aktiengesellschaft (DE) 1984-06-20 EP 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-20080009521-A1 Aryl Piperidine Amides BDNF, NTRK2, OPRL1 CHRM2 3463/4885CA12 4821/4885CA4 4688/4885
US-20220144818-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS3BP, LGALS1 CHRM2 3657/4885CA12 186/4885CA4 792/4885

“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.