SCHEMBL11991410

SCHEMBL11991410

COc1cccc(CCC(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.62
▸ AOC3 Q16853 1/20 0.60
▸ CHRM2 P08172 3/20 0.59
▸ CHRM1 P11229 3/20 0.59
▸ CHRM3 P20309 3/20 0.59
▸ SIGMAR1 Q99720 1/20 0.56
▸ IDO1 P14902 2/20 0.53
▸ AGXT P21549 2/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.53
▸ ABCB1 P08183 4/20 0.53
▸ HTR1A P08908 2/20 0.53
▸ DRD2 P14416 2/20 0.53
▸ ABCG2 Q9UNQ0 1/20 0.51

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
SCHEMBL14668122 0.89 CHRM2 (0.59) TAAR1AOC3CHRM2CHRM1CHRM3
SCHEMBL267087 0.86 TAAR1 (0.72) TAAR1AOC3CHRM2CHRM1CHRM3
SCHEMBL30080050 0.84 TAAR1 (0.77) TAAR1AOC3CHRM2CHRM1CHRM3
SCHEMBL723511 0.84 TAAR1 (0.77) TAAR1AOC3CHRM2CHRM1CHRM3
SCHEMBL5477927 0.83 TAAR1 (0.56) TAAR1AOC3CHRM2CHRM1CHRM3
SCHEMBL18714850 0.82 FDFT1 (0.53) —
SCHEMBL9579004 0.82 OPRM1 (0.50) TAAR1AOC3SIGMAR1
SCHEMBL449889 0.81 TAAR1 (0.76) TAAR1AOC3CHRM2CHRM1CHRM3
SCHEMBL24440174 0.80 TAAR1 (0.53) TAAR1CHRM2CHRM1CHRM3
SCHEMBL874249 0.80 AOC3 (0.55) TAAR1AOC3CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219912-A1 HALOGENATED BENZOTHIADIAZINES FOR THE TREATMENT OF CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-07-13 — — US disclosed
US-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 — — US disclosed
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 — — US disclosed
WO-2021236818-A1 HALOGENATED BENZOTHIADIAZINES FOR THE TREATMENT OF CANCER BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2021-11-25 — — WO disclosed
US-20210054017-A1 CONJUGATED ANTISENSE COMPOUNDS AND THEIR USE IONIS PHARMACEUTICALS INC (US) 2021-02-25 — — US disclosed
US-20210017162-A1 NEURITE OUTGROWTH PROMOTERS AND USES THEREOF UNIVERSITY OF MIAMI 2021-01-21 — — US disclosed
US-10723717-B2 Compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides ARVINAS OPERATIONS, INC. (US) 2020-07-28 — — US disclosed
US-10570169-B2 Conjugated antisense compounds and their use IONIS PHARMACEUTICALS, INC. (US) 2020-02-25 — — US disclosed
WO-2019183369-A1 NEURITE OUTGROWTH PROMOTERS AND USES THEREOF UNIVERSITY OF MIAMI (US) 2019-09-26 — — WO disclosed
WO-2019046784-A1 COMPOUNDS AND METHODS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR CORVUS PHARMACEUTICALS, INC. (US) 2019-03-07 — — WO disclosed
US-8476257-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-02 — — US disclosed
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same SK CHEMICALS CO. LTD. (KR) 2013-05-30 — — US disclosed
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
EP-1888558-B1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2011-10-05 — — EP disclosed
US-20110021486-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
US-20110021486-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
EP-2253621-A1 A SET OF GELDANAMYCIN DERIVATIVES AND THEIR PREPARATION METHODS Institute Of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2010-11-24 — — EP disclosed
US-7378413-B2 2-amino-3-(alkyl)-pyrimidone derivatives SANOFI AVENTIS (FR) 2008-05-27 — — US disclosed
WO-2008028057-A2 SHIKIMIC ACID-DERIVED COMPOUNDS FOR INHIBITION AND DETECTION OF AURORA A-ASSOCIATED TUMORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-03-06 — — WO 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 (10 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-20210017162-A1 NEURITE OUTGROWTH PROMOTERS AND USES THEREOF BDNF, NGF, GAP43 TAAR1 1438/4885AOC3 1282/4885CHRM2 2516/4885
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same GNRHR, GHRHR, LHCGR TAAR1 600/4885AOC3 4262/4885CHRM2 3072/4885
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 TAAR1 132/4885AOC3 1079/4885CHRM2 380/4885
US-20230219912-A1 HALOGENATED BENZOTHIADIAZINES FOR THE TREATMENT OF CANCER TFAM, NDUFAF1, NDUFV1 TAAR1 3194/4885AOC3 1342/4885CHRM2 4715/4885
US-20210054017-A1 CONJUGATED ANTISENSE COMPOUNDS AND THEIR USE GNE, FUT6, GALNT13 TAAR1 4329/4885AOC3 2536/4885CHRM2 2567/4885
US-10570169-B2 Conjugated antisense compounds and their use GNE, GALNT1, GALNT6 TAAR1 4365/4885AOC3 2622/4885CHRM2 2383/4885
US-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G TAAR1 4274/4885AOC3 4061/4885CHRM2 4839/4885
US-20110021486-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H TAAR1 3372/4885AOC3 2456/4885CHRM2 4642/4885
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H TAAR1 3372/4885AOC3 2456/4885CHRM2 4642/4885
US-10723717-B2 Compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides CRBN, ARAF, VHL TAAR1 3167/4885AOC3 2248/4885CHRM2 4703/4885

“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.

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