SCHEMBL607749

SCHEMBL607749

Cc1cc(Br)ccc1CN

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.47
CYP2A6 P11509 1/20 0.44
CCR5 P51681 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SIGMAR1 Q99720 1/20 0.35
MAPK1 P28482 1/20 0.34
HTR2A P28223 3/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
TAAR1 Q96RJ0 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
Hydrochloric Acid SCHEMBL607790 0.98 PYCR1 (0.46) PYCR1CYP2A6CCR5ALDH1A1SIGMAR1
SCHEMBL20425681 0.83 TAAR1 (0.52) PYCR1HTR2ATRPM8TAAR1
SCHEMBL29890016 0.83 TAAR1 (0.52) PYCR1HTR2ATRPM8TAAR1
SCHEMBL2550855 0.82 CYP2A6 (0.44) PYCR1CYP2A6CCR5ALDH1A1MAPK1
SCHEMBL31142940 0.82 CYP2A6 (0.44) PYCR1CYP2A6CCR5ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7637186 0.81 TAAR1 (0.50) PYCR1MAPK1HTR2ATRPM8TAAR1
Hydrochloric Acid SCHEMBL29507155 0.81 TAAR1 (0.50) PYCR1MAPK1HTR2ATRPM8TAAR1
SCHEMBL8587109 0.80 PYCR1 (0.46) PYCR1ALDH1A1SIGMAR1MAPK1CA1
SCHEMBL12164465 0.79 PYCR1 (0.49) PYCR1ALDH1A1MAPK1CA1CA2
SCHEMBL307129 0.79 PYCR1 (0.49) PYCR1ALDH1A1SIGMAR1MAPK1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
US-20260138978-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIV (US) 2026-05-21 US disclosed
US-12570631-B2 Substituted N-(4-(pyrimidin and pyridin-4-yl)benzylcarboxamides and its use for treating disorders responsive to inhibition of Btk BIOGEN MA INC. (US) 2026-03-10 US disclosed
US-12454525-B2 IL4I1 inhibitors and methods of use MERCK SHARP & DOHME LLC (US) 2025-10-28 US disclosed
US-20250282760-A1 OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2025-09-11 US disclosed
US-20250236610-A1 3-[(1H-PYRAZOL-4-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF BEIGENE, LTD. (KY) 2025-07-24 US disclosed
CN-120081791-A Heteroaryl compounds, process for their preparation and their use in medicine 江苏恒瑞医药股份有限公司 2025-06-03 CN disclosed
EP-4518853-A1 OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2025-03-12 EP disclosed
US-12240838-B2 Inhibiting agents for Bruton's tyrosine kinase BIOGEN MA INC. (US) 2025-03-04 US disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
CN-1649885-A Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds GILEAD SCIENCES INC (US) 2005-08-03 CN disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
US-5034537-A Alpha-methyl-4-halobenzenemethanamine salts of acids for cardiovascular disorders, respiratory system disorders and antiallergens SMITHKLINE BEECHAM CORPORATION (US) 1991-07-23 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 (9 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-12240838-B2 Inhibiting agents for Bruton's tyrosine kinase ABL1, BTK, LYN PYCR1 3474/4885CYP2A6 3708/4885CCR5 3491/4885
US-12570631-B2 Substituted N-(4-(pyrimidin and pyridin-4-yl)benzylcarboxamides and its use for treating disorders responsive to inhibition of Btk BTK, LYN, SYK PYCR1 2529/4885CYP2A6 1158/4885CCR5 825/4885
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 PYCR1 2448/4885CYP2A6 381/4885CCR5 60/4885
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP PYCR1 2621/4885CYP2A6 3590/4885CCR5 2161/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS PYCR1 2164/4885CYP2A6 811/4885CCR5 1489/4885
US-20250282760-A1 OREXIN RECEPTOR AGONISTS HCRTR2, HCRTR1, OXTR PYCR1 527/4885CYP2A6 1291/4885CCR5 548/4885
US-20260138978-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM4, CHRM2 PYCR1 2221/4885CYP2A6 1827/4885CCR5 280/4885
US-12454525-B2 IL4I1 inhibitors and methods of use IL4I1, IL4, IL2 PYCR1 3767/4885CYP2A6 1833/4885CCR5 555/4885
US-20250236610-A1 3-[(1H-PYRAZOL-4-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF HIPK1, HIPK3, HIPK2 PYCR1 2399/4885CYP2A6 4317/4885CCR5 3093/4885

“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.