SCHEMBL12891787

SCHEMBL12891787

CN1CCC2(CC1)NC(=O)Cc1ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.57
NPY5R Q15761 1/20 0.50
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
HTR2B P41595 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
AHR P35869 1/20 0.40
PDK2 Q15119 1/20 0.40
NEK2 P51955 1/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
OPRM1 P35372 1/20 0.38
TDP2 O95551 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38

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
SCHEMBL1951145 0.87 HRH3 (0.48) HRH3NPY5RHTR2AHTR2CAHR
SCHEMBL18896613 0.85 HRH3 (0.53) HRH3NPY5RAHRPDK2TSHR
SCHEMBL17779118 0.83 HRH3 (0.68) HRH3NPY5RKDM4EHTR2BSIGMAR1
SCHEMBL17779117 0.83 HRH3 (0.59) HRH3NPY5RHTR2BSIGMAR1HTR2A
SCHEMBL17778814 0.82 HRH3 (0.55) HRH3NPY5RSIGMAR1TSHR
SCHEMBL17778816 0.82 HRH3 (0.55) HRH3NPY5RSIGMAR1TSHRCASP6
SCHEMBL30817706 0.82 PDE7A (0.54) HRH3NPY5RAHRPDK2TSHR
SCHEMBL11640043 0.82 PDE7A (0.54) HRH3NPY5RAHRPDK2TSHR
SCHEMBL12568543 0.81 HRH3 (0.41) HRH3NPY5RKDM4EGLAHTR2B
SCHEMBL17778813 0.81 SIGMAR1 (0.56) HRH3NPY5RHTR2BSIGMAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663469-B2 RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
US-9663469-B2 RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
US-20160318870-A1 RORy MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-03 US disclosed
US-20160318870-A1 RORy MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-03 US disclosed
WO-2015035278-A1 RORγ MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-12 WO disclosed
US-7880009-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; (E)-N-biphenyl-3-ylmethyl-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acrylamide for example; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42 EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-02-01 US disclosed
US-7803807-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-09-28 US disclosed
US-7803807-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-09-28 US disclosed
US-7687514-B2 Benzimidazole derivatives BANYU PHARMACEUTICALS CO., LTD. (JP) 2010-03-30 US disclosed
US-7687514-B2 Benzimidazole derivatives BANYU PHARMACEUTICALS CO., LTD. (JP) 2010-03-30 US disclosed
US-20100048600-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MSD K.K. (JP) 2010-02-25 US disclosed
US-20100048600-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MSD K.K. (JP) 2010-02-25 US disclosed
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome EISAI R&D MANAGEMENT CO., LTD. 2009-11-12 US disclosed
US-7384930-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 US disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
US-7304072-B2 E.g.,cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro[cyclohexane-1,1'(3'H)-isobenzofuran]-4-carboxamide; useful as neuropeptide Y receptor antagonists and as agents for therapy of cardiovascular disorders, central nervous system disorders, metabolic diseases, respiratory and urogenital disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-04 US disclosed
US-7304072-B2 E.g.,cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro[cyclohexane-1,1'(3'H)-isobenzofuran]-4-carboxamide; useful as neuropeptide Y receptor antagonists and as agents for therapy of cardiovascular disorders, central nervous system disorders, metabolic diseases, respiratory and urogenital disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-04 US disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 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 (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-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome APP, PSEN1, BACE1 HRH3 3778/4885NPY5R 3509/4885KDM4E 2327/4885
US-20160318870-A1 RORy MODULATORS RORB, RORC, RORA HRH3 612/4885NPY5R 153/4885KDM4E 2509/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 HRH3 253/4885NPY5R 2188/4885KDM4E 4007/4885
US-20100048600-A1 NOVEL BENZIMIDAZOLE DERIVATIVES NPY4R, NPY5R, NPY1R HRH3 42/4885NPY5R 2/4885KDM4E 1638/4885

“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.