SCHEMBL7003208

SCHEMBL7003208

COc1cccc([C@@H]2C[C@H]2C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.67
HTR2A P28223 2/20 0.54
HTR2C P28335 2/20 0.54
HTR2B P41595 2/20 0.54
FFAR1 O14842 5/20 0.49
GPR88 Q9GZN0 1/20 0.48
DGAT2 Q96PD7 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
GRM2 Q14416 1/20 0.47
GRM3 Q14832 1/20 0.47
ITK Q08881 1/20 0.46
GRIN2B Q13224 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL24737951 1.00 SLC9A1 (0.67) SLC9A1HTR2AHTR2CHTR2BFFAR1
SCHEMBL7003204 1.00 SLC9A1 (0.67) SLC9A1HTR2AHTR2CHTR2BFFAR1
SCHEMBL10288769 1.00 SLC9A1 (0.67) SLC9A1HTR2AHTR2CHTR2BFFAR1
SCHEMBL21501023 1.00 SLC9A1 (0.67) SLC9A1HTR2AHTR2CHTR2BFFAR1
SCHEMBL1207144 1.00 SLC9A1 (0.67) SLC9A1HTR2AHTR2CHTR2BFFAR1
SCHEMBL8357586 0.88 SLC9A1 (0.67) SLC9A1HTR2AHTR2CHTR2BGPR88
SCHEMBL30997748 0.86 SLC9A1 (0.73) SLC9A1HTR2AHTR2CHTR2BGPR88
SCHEMBL7006240 0.84 FFAR1 (0.62) SLC9A1FFAR1
SCHEMBL9385280 0.84 FFAR1 (0.62) SLC9A1FFAR1
SCHEMBL6326088 0.84 SLC9A1 (0.62) SLC9A1HTR2AHTR2CHTR2BFFAR1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590944-B1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 EP disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US disclosed
EP-0996621-B1 TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
CN-1090184-C Heterocyclic compounds FUJISAWA PHARMACEUTICAL CO (JP) 2002-09-04 CN disclosed
US-6251910-B1 1,2,3-triazolo[4,5-d]pyrimidines as P2T receptor antagonists ASTRAZENECA UK LIMITED (GB) 2001-06-26 US disclosed
EP-0736018-B1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2000-07-05 EP disclosed
US-6025375-A INHIBITORY ACTIVITY ON PLATELET AGGREGATION, VASODILATING ACTIVITY, ANTIHYPERTENSIVE ACTIVITY OR THE LIKE AND ARE PROSTAGLANDIN I.SUB.2 AGONISTS, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-15 US disclosed
CN-1046714-C Diaryl oxazole derivative and its preparation method, application and pharmaceutical composition FUJISAWA PHARMACEUTICAL CO (JP) 1999-11-24 CN disclosed
CN-1229795-A Heterocyclic compounds FUJISAWA PHARMACEUTICAL CO (JP) 1999-09-29 CN disclosed
CN-1138328-A Heterocyclic compounds FUJISAWA PHARMACEUTICAL CO (JP) 1996-12-18 CN disclosed
EP-0736018-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-09 EP disclosed
WO-1995017393-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-06-29 WO 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 (1 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-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H SLC9A1 148/4885HTR2A 1513/4885HTR2C 1297/4885

“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.