SCHEMBL9733679

SCHEMBL9733679

CN1CCCCC1CN1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.64
CHRM5 P08912 1/20 0.48
ADRA2C P18825 1/20 0.48
ADRA2A P08913 1/20 0.45
HTR6 P50406 4/20 0.40
ARG1 P05089 1/20 0.40
ARG2 P78540 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL12568590 1.00 CYP1A2 (0.64) CYP1A2CHRM5ADRA2CADRA2AHTR6
SCHEMBL9927939 0.98 CYP1A2 (0.68) CYP1A2CHRM5ADRA2CADRA2AHTR6
SCHEMBL5961386 0.98 CYP1A2 (0.68) CYP1A2CHRM5ADRA2CADRA2AHTR6
SCHEMBL12568584 0.98 CYP1A2 (0.68) CYP1A2CHRM5ADRA2CADRA2AHTR6
SCHEMBL12568588 0.98 CYP1A2 (0.68) CYP1A2CHRM5ADRA2CADRA2AHTR6
SCHEMBL15314551 0.98 CYP1A2 (0.62) CYP1A2CHRM5ADRA2CADRA2AHTR6
SCHEMBL2760246 0.95 CYP1A2 (0.59) CYP1A2CHRM5ADRA2CHTR6
SCHEMBL2831606 0.95 CYP1A2 (0.59) CYP1A2CHRM5ADRA2CHTR6
SCHEMBL2760249 0.95 CYP1A2 (0.59) CYP1A2CHRM5ADRA2CHTR6
SCHEMBL6079950 0.93 CYP1A2 (0.62) CYP1A2CHRM5ADRA2CHTR6HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206186-B2 2-phenoxy- and 2-phenylsulfonamide derivatives with CCR3 antagonistic activity for the treatment of inflammatory or immunological disorders AXIKIN PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
EP-2518067-B1 DERIVATIVES OF N-[(1H-PYRAZOL-1-YL)ARYL]-1H-INDOLE OR 1H- INDAZOLE-3-CARBOXAMIDE AND THEIR THERAPEUTIC USES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2014-03-05 EP disclosed
US-8623862-B2 Derivatives of N-[(1H-pyrazol-1-yl)aryl]-1H-indole or 1H-indazole-3-carboxamide, preparation thereof and applications thereof in therapeutics SANOFI (FR) 2014-01-07 US disclosed
US-8623862-B2 Derivatives of N-[(1H-pyrazol-1-yl)aryl]-1H-indole or 1H-indazole-3-carboxamide, preparation thereof and applications thereof in therapeutics SANOFI (FR) 2014-01-07 US disclosed
EP-2069327-B1 NEW PYRIDONE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2013-10-16 EP disclosed
EP-1558578-B1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2013-03-13 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20120277205-A1 DERIVATIVES OF N-[(1H-PYRAZOL-1-YL)ARYL]-1H-INDOLE OR 1H-INDAZOLE-3-CARBOXAMIDE, PREPARATION THEREOF AND APPLICATIONS THEREOF IN THERAPEUTICS SANOFI (FR) 2012-11-01 US disclosed
US-20090286771-A1 2-Phenoxy- and 2-Phenylsulfonamide Derivatives with CCR3 Antagonistic Activity for the Treatment of Inflammatory or Immunological Disorders LI YINGFU 2009-11-19 US disclosed
US-20090258871-A1 Aza-Substituted Spiro Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-10-15 US disclosed
US-20090258871-A1 Aza-Substituted Spiro Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-10-15 US disclosed
EP-1795527-B1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMA CO LTD (JP) 2009-04-22 EP disclosed
EP-1953165-A1 AZA-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-08-06 EP disclosed
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative MSD K.K. (JP) 2008-07-17 US disclosed
US-20070155725-A1 2-Phenoxy- and 2-phenylsulfomamide derivatives with ccr3 antagonistic activity for the treatment of asthma and other inflammatory or immunological disorders AXIKIN PHARMACEUTICALS, INC. 2007-07-05 US disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP disclosed
US-5114945-A Spiropiperidine derivatives GLAXO GROUP LIMITED (GB) 1992-05-19 US disclosed
EP-0330461-A2 Piperidine derivatives GLAXO GROUP LIMITED (GB) 1989-08-30 EP 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-20090286771-A1 2-Phenoxy- and 2-Phenylsulfonamide Derivatives with CCR3 Antagonistic Activity for the Treatment of Inflammatory or Immunological Disorders CCR3, CCR2, CCR1 CYP1A2 1960/4885CHRM5 1674/4885ADRA2C 634/4885
US-20070155725-A1 2-Phenoxy- and 2-phenylsulfomamide derivatives with ccr3 antagonistic activity for the treatment of asthma and other inflammatory or immunological disorders CCR3, CCR1, CCR2 CYP1A2 1151/4885CHRM5 202/4885ADRA2C 336/4885
US-20120277205-A1 DERIVATIVES OF N-[(1H-PYRAZOL-1-YL)ARYL]-1H-INDOLE OR 1H-INDAZOLE-3-CARBOXAMIDE, PREPARATION THEREOF AND APPLICATIONS THEREOF IN THERAPEUTICS NTRK3, NTRK1, NTRK2 CYP1A2 753/4885CHRM5 363/4885ADRA2C 196/4885
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative HRH3, HRH4, HRH2 CYP1A2 3205/4885CHRM5 36/4885ADRA2C 605/4885
US-20090258871-A1 Aza-Substituted Spiro Derivatives AZI2, NR3C2, DNMT3A CYP1A2 333/4885CHRM5 190/4885ADRA2C 931/4885

“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.