SCHEMBL1546549

SCHEMBL1546549

CCOc1cc(C#N)ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.55
TSHR P16473 3/20 0.47
HSD17B10 Q99714 1/20 0.47
TRPM4 Q8TD43 1/20 0.45
KDM4E B2RXH2 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
CYP3A4 P08684 1/20 0.44
LMNA P02545 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
XDH P47989 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
FFAR1 O14842 1/20 0.42

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
SCHEMBL943785 0.88 TSHR (0.51) TRPV4TSHRHSD17B10TRPM4RXFP1
SCHEMBL5649740 0.86 TRPV4 (0.57) TRPV4TSHRTRPM4KDM4ERXFP1
SCHEMBL1546502 0.85 TDP1 (0.58) TRPV4TSHRKDM4ERXFP1CYP3A4
SCHEMBL1614434 0.82 ALDH1A1 (0.57) HSD17B10TRPM4KDM4EXDHSLC22A12
SCHEMBL7896006 0.79 TSHR (0.45) TSHRHSD17B10KDM4ECYP3A4LMNA
SCHEMBL18528829 0.79 PTGDR2 (0.60) TRPV4PTGDR2ALDH1A1MAPT
SCHEMBL4844621 0.78 KDM4E (0.70) TSHRHSD17B10KDM4ECYP3A4LMNA
SCHEMBL2769244 0.78 ADRB1 (0.55) TSHRHSD17B10KDM4ECYP3A4LMNA
SCHEMBL17293972 0.78 ALDH1A1 (0.50) KDM4EXDHSLC22A12ALDH1A1
SCHEMBL1402437 0.78 TRPV4 (0.61) TRPV4HSD17B10KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925322-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2018-10-24 EP disclosed
US-9777002-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-10-03 US disclosed
US-20150299198-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME CORP. (US) 2015-10-22 US disclosed
EP-2925322-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2015-10-07 EP disclosed
EP-1960368-B1 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS HOFFMANN LA ROCHE (CH) 2015-05-06 EP disclosed
WO-2014085210-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-06-05 WO disclosed
EP-2311814-A1 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between P53 and MDM2 proteins for use as anticancer agents F. Hoffmann-La Roche AG (CH) 2011-04-20 EP disclosed
US-7851626-B2 4,4,5,5, tetrasubstituted imidazolines HOFFMANN-LA ROCHE INC. (US) 2010-12-14 US disclosed
EP-2130822-A1 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between p53 and mdm2 proteins for use as anticancer agents F. Hoffmann-La Roche AG (CH) 2009-12-09 EP disclosed
US-7579368-B2 Cis-imidazolines HOFFMAN-LA ROCHE INC. (US) 2009-08-25 US disclosed
WO-2006097261-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-21 WO disclosed
US-20060211693-A1 Cis-imidazolines FOTOUHI NADER 2006-09-21 US disclosed
US-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis 3-V BIOSCIENCES, INC. 2005-02-17 US disclosed
US-20040235930-A1 Indole derivatives and their use for the treatment of osteoporosis amongst other applications FARINA CARLO (IT) 2004-11-25 US disclosed
EP-1212317-B1 INDOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF OSTEOPOROSIS AMONGST OTHER APPLICATIONS NIKEM RESEARCH SRL (IT) 2004-09-15 EP disclosed
US-6787550-B1 4-(5,6-DICHLORO-1H-INDOL-2-YL)-3-ETHOXY-N-(2,2,6,6 -TETRAMETHYLTETRAMETHYLPIPERIDIN-4-YL)-BENZAMIDE NIKEM RESEARCH S.R.L. (IT) 2004-09-07 US disclosed
EP-1212317-A1 INDOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF OSTEOPOROSIS AMONGST OTHER APPLICATIONS GlaxoSmithKline S.p.A. (IT) 2002-06-12 EP disclosed
EP-1187813-A1 AZOLYLBENZAMIDES AND ANALOGUES AND THEIR USE FOR TREATING OSTEOPOROSIS SMITHKLINE BEECHAM PLC (GB) 2002-03-20 EP disclosed
WO-2001002388-A1 INDOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF OSTEOPOROSIS AMONGST OTHER APPLICATIONS GLAXOSMITHKLINE S.P.A. (IT) 2001-01-11 WO disclosed
WO-2001000587-A1 AZOLYLBENZAMIDES AND ANALOGUES AND THEIR USE FOR TREATING OSTEOPOROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2001-01-04 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 (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-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis NR0B2, NR0B1, NCOR1 TRPV4 2479/4885TSHR 161/4885HSD17B10 1551/4885
US-20150299198-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 TRPV4 245/4885TSHR 1548/4885HSD17B10 3184/4885
US-20060211693-A1 Cis-imidazolines TP53, MDM2, CDC25C TRPV4 3975/4885TSHR 2239/4885HSD17B10 3572/4885
US-20040235930-A1 Indole derivatives and their use for the treatment of osteoporosis amongst other applications MALT1, SOST, NFATC1 TRPV4 2947/4885TSHR 1158/4885HSD17B10 2742/4885

“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.