SCHEMBL818602

SCHEMBL818602

[c]1ncccc1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.44
TAAR1 Q96RJ0 4/20 0.41
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
MET P08581 1/20 0.35
SORT1 Q99523 1/20 0.34
PAX8 Q06710 1/20 0.34
CYP19A1 P11511 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BCL2 P10415 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
SCHEMBL6165226 0.86 CYP11B1 (0.37) CYP1A2CYP2D6CYP19A1ALDH1A1HRH3
SCHEMBL6167672 0.82 HRH4 (0.46) CYP1A2CYP2D6HRH3CYP11B1CYP11B2
SCHEMBL1201603 0.82 KCNH2 (0.41) TAAR1CYP1A2CYP2D6MAOAMAOB
SCHEMBL19689361 0.79 HTR2A (0.42) ADRA2AADRA1AMAOAMAOB
SCHEMBL5683250 0.75
SCHEMBL6165479 0.75 SMN1; SMN2 (0.44) TAAR1LMNACYP1A2CYP2D6TSHR
SCHEMBL1189016 0.73 IDO1 (0.39) TAAR1LMNA
SCHEMBL855159 0.72 CALM1 (0.41) CALM1TAAR1LMNASORT1CYP19A1
SCHEMBL5683854 0.71
SCHEMBL1243875 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101312948-B Biaryl substituted heterocycle inhibitors of lTA4H for treating inflammation DECODE GENETICS EHF 2015-01-14 CN claimed
EP-1278720-B1 1,4-DIARYL-2-FLUORO-4-CYANO-2-BUTENES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES USEFUL THEREFOR BASF AG (DE) 2005-04-06 EP claimed
EP-1006110-B8 DERIVATIVES OF ACYL-PIPERAZINIL-PYRIMIDINS, PREPARATION THEREOF AND APPLICATION AS MEDICAMENTS ESTEVE LABOR DR (ES) 2005-01-05 EP claimed
EP-1144305-A4 NOVEL sPLA 2 INHIBITORS LILLY CO ELI (US) 2004-11-10 EP claimed
US-6770463-B2 INSECTICIDES AND ACARICIDES; AROMATIC SUBSTITUTED HALOALKENES BASF AKTIENGESELLSCHAFT (DE) 2004-08-03 US claimed
US-20040029948-A1 Novel sPLA2 inhibitors HARPER RICHARD WALTZ (US) 2004-02-12 US claimed
EP-1202948-B1 PROCESSES FOR THE PREPARATION OF 2-ARYLVINYL ALKYL ETHER AND 1,4-DIARYL-2-FLUORO-2-BUTENE COMPOUNDS BASF AG (DE) 2003-12-10 EP claimed
EP-1131273-B1 1,4-DIARYL-2-FLUORO-1-BUTEN-3-OL COMPOUNDS AND THEIR USE IN THE PREPARATION OF 1,4-DIARYL-2-FLUORO-1,3-BUTADIENE AND 1,4-DIARYL-2-FLUORO-2-BUTENE COMPOUNDS BASF AG (DE) 2003-10-22 EP claimed
EP-1351913-A2 1,4-DIARYL-2,3-DIFLUORO-2-BUTENE INSECTICIDAL AND ACARICIDAL AGENTS BASF AKTIENGESELLSCHAFT (DE) 2003-10-15 EP claimed
US-20030191175-A1 Indole sPLA2 inhibitors MIHELICH EDWARD DAVID (US) 2003-10-09 US claimed
WO-1999005121-A1 DERIVATIVES OF ACYL-PIPERAZINIL-PYRIMIDINS, PREPARATION THEREOF AND APPLICATION AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1999-02-04 WO claimed
WO-1998008813-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO claimed
US-5710102-A Difluorovinylsilane insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 1998-01-20 US claimed
EP-0811593-A1 1,4-diaryl-2-fluoro-2-butene insecticidal and acaricidal agents American Cyanamid Company (US) 1997-12-10 EP claimed
EP-0796860-A2 Difluorvinylsilane insecticidal and acaridal agents American Cyanamid Company (US) 1997-09-24 EP claimed
US-5654326-A SEPTIC SHOCK; HUMAN NONPANCREATIC SECRETORY PHOSPHOLIPASE ELI LILLY AND COMPANY (US) 1997-08-05 US claimed
US-5641800-A ALLEVIATE EFFECT OF SEPTIC SHOCK, ADULT RESPIRATORY DISTRESS SYNDROME, PANCREATITIS, TRAUMA, BRONCHIAL ASTHMA, ALLERGIC RHINITIS, AND RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY (US) 1997-06-24 US claimed
EP-0339661-B1 Photochromic substances RODENSTOCK OPTIK G (DE) 1994-04-20 EP claimed
CN-1073174-A Hete rocyclic derivatives ICI PLC (GB) 1993-06-16 CN claimed
US-4959471-A IMPROVED MIGRATION PROPERTIES IN PLASTICS, LENSES OPTISCHE WERKE G. RODENSTOCK (DE) 1990-09-25 US claimed

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-20040029948-A1 Novel sPLA2 inhibitors PLA2G12A, PLA2G4A, PLAAT2 CALM1 3361/4885TAAR1 3498/4885LMNA 3724/4885
US-20030191175-A1 Indole sPLA2 inhibitors PLAAT2, PLA2G4A, PLA2G12A CALM1 3424/4885TAAR1 3580/4885LMNA 3171/4885

“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.