SCHEMBL614362

SCHEMBL614362

Clc1cncc(Cl)c1N1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 1.00
CHRNB2 P17787 4/20 0.55
CHRNA4 P43681 4/20 0.55
CYP3A4 P08684 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
HTR1A P08908 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CHRNA1 P02708 1/20 0.49
CHRNA7 P36544 1/20 0.49
ADRB1 P08588 5/20 0.47
CHRM2 P08172 1/20 0.44

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
SCHEMBL5355610 0.93 ADRB2 (0.86) ADRB2CHRNB2CHRNA4CYP3A4KDM4E
SCHEMBL15771047 0.87 ADRB2 (0.77) ADRB2CHRNB2CHRNA4CYP3A4KDM4E
SCHEMBL4296138 0.82 ADRB2 (0.68) ADRB2CHRNB2CHRNA4CYP3A4KDM4E
SCHEMBL16707787 0.82 ADRB2 (0.68) ADRB2CHRNB2CHRNA4CYP3A4KDM4E
SCHEMBL16707798 0.82 ADRB2 (0.68) ADRB2CHRNB2CHRNA4CYP3A4KDM4E
Piperazine SCHEMBL5600493 0.81 ADRB2 (0.66) ADRB2CHRNB2CHRNA4CYP3A4KDM4E
SCHEMBL19986733 0.80 ADRB2 (0.67) ADRB2CHRNB2CHRNA4CYP3A4KDM4E
SCHEMBL1939308 0.78 CYP3A4 (0.63) ADRB2CHRNB2CHRNA4CYP3A4
SCHEMBL2063946 0.77 ADRB2 (0.62) ADRB2CHRNB2CHRNA4CYP3A4KDM4E
SCHEMBL613061 0.77 ADRB1 (0.64) ADRB2CYP3A4ALDH1A1CYP1A2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018371-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-01-28 EP claimed
WO-2007136703-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed
US-12521386-B2 Small molecule inhibitors of the androgen receptor activity and/or expression and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2026-01-13 US disclosed
US-20220062278-A1 SMALL MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR ACTIVITY AND/OR EXPRESSION AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-03 US disclosed
WO-2020123670-A1 SMALL MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR ACTIVITY AND/OR EXPRESSION AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-06-18 WO disclosed
EP-2601194-B1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME (US) 2016-05-25 EP disclosed
EP-2858994-A1 PYRAZOLOPYRIMIDONE AND PYRAZOLOPYRIDONE INHIBITORS OF TANKYRASE F. Hoffmann-La Roche AG (CH) 2015-04-15 EP disclosed
EP-2858995-A1 PYRROLOPYRIMIDONE AND PYRROLOPYRIDONE INHIBITORS OF TANKYRASE F. Hoffmann-La Roche AG (CH) 2015-04-15 EP disclosed
US-8877745-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8722661-B2 Pyrrolopyrimidone and pyrrolopyridone inhibitors of tankyrase HOFFMANN-LA ROCHE INC. (US) 2014-05-13 US disclosed
US-20130345215-A1 PYRAZOLOPYRIMIDONE AND PYRAZOLOPYRIDONE INHIBITORS OF TANKYRASE F. HOFFMANN-LA ROCHE AG (CH) 2013-12-26 US disclosed
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2004-08-05 US disclosed
US-20040132721-A1 Piperazino-derivatives and their use as pde4 inhibitor ATLANTA PHARMA AG (DE) 2004-07-08 US disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
WO-2004035549-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2004-04-29 WO disclosed
EP-1385838-A1 PIPERAZINO-DERIVATIVES AND THEIR USE AS PDE4 INHIBITOR ALTANA Pharma AG (DE) 2004-02-04 EP disclosed
US-6683093-B2 ENZYME INHIBITORS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE PHARMACIA CORPORATION 2004-01-27 US disclosed
WO-2003082873-A1 NEW-4-(PYRROLOPYRIMIDIN-6-YL)BENZENESULPHONAMIDE DERIVATIVES ALMIRALL PRODESFARMA, S.A. (ES) 2003-10-09 WO disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 EP disclosed
WO-2002085885-A1 PIPERAZINO-DERIVATIVES AND THEIR USE AS PDE4 INHIBITOR ALTANA PHARMA AG (DE) 2002-10-31 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 (5 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-20220062278-A1 SMALL MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR ACTIVITY AND/OR EXPRESSION AND USES THEREOF AR, KLK3, FSHR ADRB2 301/4885CHRNB2 3707/4885CHRNA4 3812/4885
US-20040132721-A1 Piperazino-derivatives and their use as pde4 inhibitor PDE4A, PDE4B, PDE3A ADRB2 149/4885CHRNB2 2325/4885CHRNA4 525/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 ADRB2 1960/4885CHRNB2 4797/4885CHRNA4 3646/4885
US-20130345215-A1 PYRAZOLOPYRIMIDONE AND PYRAZOLOPYRIDONE INHIBITORS OF TANKYRASE TNKS1BP1, TPI1, TNKS ADRB2 4642/4885CHRNB2 4809/4885CHRNA4 4765/4885
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 ADRB2 161/4885CHRNB2 630/4885CHRNA4 601/4885

“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.