SCHEMBL6504160

SCHEMBL6504160

CCCc1ccc[c]c1OC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.35
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
TAAR1 Q96RJ0 1/20 0.32
ELANE P08246 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
PPARA Q07869 1/20 0.30
PPARD Q03181 1/20 0.30

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
SCHEMBL4073818 0.90 TAAR1 (0.35) ALOX5PTGS2TAAR1
SCHEMBL1012043 0.89 ALOX5 (0.42) ALOX5PTGS2ELANEPPARA
SCHEMBL455800 0.84 GABRA1 (0.37) TAAR1
SCHEMBL16962466 0.83 ELANE (0.36) ELANEADRA2AADRA2BADRA2C
SCHEMBL3363963 0.83 TAAR1 (0.52) TAAR1
SCHEMBL7373851 0.81 ADRA2A (0.32) ELANEADRA2AADRA2BADRA2CPPARD
SCHEMBL3365900 0.80 ABCB1 (0.47)
SCHEMBL17514671 0.80 TAAR1 (0.30) TAAR1
SCHEMBL981223 0.79 LTA4H (0.40) PPARA
SCHEMBL16957788 0.79 CTSS (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073801-A1 PYRROLIDINE DERIVATIVES AS SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF SUMMIT CORPORATION PLC (GB) 2014-03-13 US claimed
EP-2681190-A1 PYRROLIDINE DERIVATIVES AS SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF Summit Corporation Plc (GB) 2014-01-08 EP claimed
WO-2012117219-A1 PYRROLIDINE DERIVATIVES AS SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF SUMMIT CORPORATION PLC (GB) 2012-09-07 WO claimed
EP-0790239-B1 Novel 4-phenyl-2-(piperazinyl/perhydrodiazepinyl/aminoalkyl)carbonylmethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid derivatives as bradykinin receptor antagonists PFIZER (US) 2001-09-12 EP claimed
EP-0777653-B1 DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER (US) 2001-08-22 EP claimed
US-5861402-A BRADYKININ ANTAGONISTS USEFUL FOR THE TREATMENT OF INFLAMMATION, CARDIOVASCULAR DISEASE, PAIN, COMMON COLD, ALLERGIES, ASTHMA, PANCREATITIS, BURNS, VIRUS INFECTION, HEAD INJURY, MULTIPLE TRAUMA PFIZER PHARMACEUTICALS, INC. (JP) 1999-01-19 US claimed
US-5859011-A Dihydropyridine derivatives as bradykinin antagonist PFIZER INC. (US) 1999-01-12 US claimed
EP-0790239-A1 Novel 4-phenyl-2-(piperazinyl/perhydrodiazepinyl/aminoalkyl)carbonylmethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid derivatives as bradykinin receptor antagonists PFIZER INC. (US) 1997-08-20 EP claimed
EP-0777653-A1 DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1997-06-11 EP claimed
WO-1996006083-A1 2-(PIPERAZINYL-1-CARBONYLMETHYL)-1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1996-02-29 WO claimed
WO-1996006082-A1 DIHYDROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1996-02-29 WO claimed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-0777653-A1 DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1997-06-11 EP disclosed
US-5508300-A INHIBIT PHOSPHODIESTERASE AND PRODUCTION OF TUMOR NECROSIS FACTOR; TREATING INFLAMMATORY DISEASES PFIZER INC. (US) 1996-04-16 US disclosed
WO-1996006082-A1 DIHYDROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1996-02-29 WO disclosed
WO-1996006083-A1 2-(PIPERAZINYL-1-CARBONYLMETHYL)-1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1996-02-29 WO disclosed
EP-0061800-A1 Anti SRS-A carboxylic acid derivatives, processes for their production and pharmaceutical formulations containing them FISONS plc (GB) 1982-10-06 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 (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-20140073801-A1 PYRROLIDINE DERIVATIVES AS SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF OGA, GAA, GBA3 HMGCR 3441/4885ALOX5 1279/4885PTGS2 1493/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX HMGCR 3891/4885ALOX5 3323/4885PTGS2 2236/4885

“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.