SCHEMBL255277

SCHEMBL255277

C1CNC(CN2CCCC2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.45
HTR2A P28223 2/20 0.45
KCNH2 Q12809 2/20 0.45
HTR1D P28221 1/20 0.45
HRH1 P35367 1/20 0.45
ADRA1B P35368 1/20 0.45
CHRM5 P08912 2/20 0.43
ADRA2C P18825 2/20 0.43
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
ARG1 P05089 3/20 0.36
ARG2 P78540 1/20 0.36
CYP2D6 P10635 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL488433 1.00 HTR1A (0.45) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL488775 1.00 HTR1A (0.45) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL16716869 1.00 HTR1A (0.45) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL5219148 0.98 CHRM5 (0.46) HTR1AHTR2AKCNH2HTR1DHRH1
Hydrochloric Acid SCHEMBL18424980 0.98 HTR1A (0.44) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL10326492 0.98 CHRM5 (0.46) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL10326687 0.98 CHRM5 (0.46) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL13620120 0.98 CHRM5 (0.46) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL1995891 0.98 CHRM5 (0.46) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL2387767 0.98 CHRM5 (0.46) HTR1AHTR2AKCNH2HTR1DHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2957575-B1 OPTICALLY ACTIVE POLY(DIPHENYLACETYLENE) COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF AS OPTICAL ISOMER SEPARATING AGENT NAT UNIV CORP KANAZAWA UNIV (JP) 2017-10-18 EP claimed
US-9562121-B2 Optically active poly(diphenylacetylene) compound, preparation method therefor, and use thereof as optical isomer separating agent NATIONAL UNIVERSITY CORPORATION KANAZAWA UNIVERSITY (JP) 2017-02-07 US claimed
CN-103232491-B A kind of preparation method of cyclic phosphoric acid 河北科技大学 2016-06-15 CN claimed
US-9290592-B2 Poly(diphenylacetylene) compound, preparation method therefor, and use thereof as optical isomer separating agent NATIONAL UNIVERSITY CORPORATION KANAZAWA UNIVERSITY (JP) 2016-03-22 US claimed
US-20150376308-A1 OPTICALLY ACTIVE POLY(DIPHENYLACETYLENE) COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF AS OPTICAL ISOMER SEPARATING AGENT NATIONAL UNIVERSITY CORPORATION KANAZAWA UNIVERSITY (JP) 2015-12-31 US claimed
US-20150376309-A1 NEW POLY(DIPHENYLACETYLENE) COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF AS OPTICAL ISOMER SEPARATING AGENT National University Corporation Kanazawa University of Ishikawa ,Japan 2015-12-31 US claimed
EP-2957575-A1 OPTICALLY ACTIVE POLY(DIPHENYLACETYLENE) COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF AS OPTICAL ISOMER SEPARATING AGENT National University Corporation Kanazawa University (JP) 2015-12-23 EP claimed
EP-1831206-B1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARM INC (US) 2011-08-24 EP claimed
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP claimed
EP-1490367-B1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-07-23 EP claimed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US claimed
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US claimed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO claimed
WO-2006060381-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARMACEUTICALS, INC. (US) 2006-06-08 WO claimed
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library OSI PHARMACEUTICALS, INC. 2006-06-01 US claimed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US claimed
EP-0873298-A4 CHIRAL REDUCTIONS OF IMINES LEADING TO THE SYNTHESES OF OPTICALLY ACTIVE AMINES NPS PHARMA INC (US) 2000-05-17 EP claimed
EP-0873298-A1 CHIRAL REDUCTIONS OF IMINES LEADING TO THE SYNTHESES OF OPTICALLY ACTIVE AMINES NPS PHARMACEUTICALS, INC. (US) 1998-10-28 EP claimed
US-5648541-A FORMING ENANTIOMERS FROM IMINES BY REDUCTION WITH LITHIUM ALUMINUM HYDRIDE NPS PHARMACEUTICALS, INC. (US) 1997-07-15 US claimed
WO-1997011934-A1 CHIRAL REDUCTIONS OF IMINES LEADING TO THE SYNTHESES OF OPTICALLY ACTIVE AMINES NPS PHARMACEUTICALS, INC. (US) 1997-04-03 WO 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 (4 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-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 HTR1A 318/4885HTR2A 900/4885KCNH2 225/4885
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 HTR1A 345/4885HTR2A 742/4885KCNH2 377/4885
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 HTR1A 837/4885HTR2A 1442/4885KCNH2 550/4885
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library KIT, CHUK, TNNI3K HTR1A 4095/4885HTR2A 4506/4885KCNH2 262/4885

“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.