SCHEMBL9948441

SCHEMBL9948441

CCCCC(=O)C(Cc1ccc(-c2ccccc2C#N)cn1)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
AVPR2 P30518 1/20 0.40
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
HIF1A Q16665 1/20 0.39
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
MME P08473 1/20 0.38
FFAR1 O14842 1/20 0.37
AKR1B1 P15121 1/20 0.37
PTPN1 P18031 1/20 0.36
GRM5 P41594 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ABL1 P00519 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL11896997 0.90 TSHR (0.41) TSHRAVPR2OXTRAVPR1AHIF1A
SCHEMBL633444 0.87 MME (0.48) TSHRGRIA2GRIA4MMEFFAR1
SCHEMBL1371403 0.84 MME (0.48) TSHRGRIA2GRIA4MMEFFAR1
SCHEMBL1370921 0.82 TSHR (0.39) TSHRMMEFFAR1AKR1B1PTPN1
SCHEMBL1373247 0.82 LTB4R2 (0.40) TSHRHIF1AGRIA2GRIA4MME
SCHEMBL1370381 0.81 TSHR (0.40) TSHRHIF1AGRIA2GRIA4MME
SCHEMBL1891097 0.80 MME (0.50) TSHRGRIA2GRIA4MMEFFAR1
SCHEMBL15418062 0.80 TSHR (0.36) TSHRMMEFFAR1AKR1B1PTPN1
SCHEMBL1895025 0.78 MME (0.46) TSHRGRIA2GRIA4MMEFFAR1
SCHEMBL1371803 0.77 TSHR (0.39) TSHRMMEFFAR1AKR1B1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315493-B2 Phenylpyridine derivative and drug containing same KOWA COMPANY, LTD. (JP) 2016-04-19 US disclosed
EP-2484675-B1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME KOWA CO (JP) 2014-11-05 EP disclosed
CN-102639527-B Novel phenylpyridine derivative and medicinal agent comprising same KOWA CO 2014-11-05 CN disclosed
US-8778954-B2 Phenylpyridine derivative and medicinal agent comprising same KOWA COMPANY, LTD. (JP) 2014-07-15 US disclosed
US-20140011823-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND DRUG CONTAINING SAME KOWA COMPANY, LTD. (JP) 2014-01-09 US disclosed
CN-103459380-A Novel phenylpyridine derivative and medicine containing the same KOWA CO 2013-12-18 CN disclosed
CN-102639527-A Novel phenylpyridine derivative and medicinal agent comprising same KOWA CO 2012-08-15 CN disclosed
EP-2484675-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2012-08-08 EP disclosed
US-20120165353-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-06-28 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 (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-20140011823-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND DRUG CONTAINING SAME AGTR2, AGTR1, PPARD TSHR 289/4885AVPR2 257/4885OXTR 643/4885
US-20120165353-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME AGTR2, AGTR1, PPARD TSHR 461/4885AVPR2 111/4885OXTR 1690/4885

“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.