SCHEMBL7901349

SCHEMBL7901349

O=C(NC1CCc2cc(Cc3cc(CO)cc(C(F)(F)F)c3)ccc21)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.47
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
MGLL Q99685 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
CCR2 P41597 3/20 0.38
TRPV1 Q8NER1 1/20 0.38
NAAA Q02083 2/20 0.38
TSHR P16473 1/20 0.37
EPHX1 P07099 1/20 0.37
CPB1 P15086 1/20 0.37

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
SCHEMBL7899511 0.89 TACR1 (0.45) TACR1MGLLCA1CA2ACHE
SCHEMBL11898600 0.88 TACR1 (0.44) TACR1PRKCAPRKCDMGLLCA1
SCHEMBL1591232 0.86 CA1 (0.48) CA1CA2ACHEALDH1A1GAA
SCHEMBL7899877 0.83 HTR1A (0.44) CCR2TRPV1
SCHEMBL7896643 0.83 TACR1 (0.47) TACR1PRKCAPRKCDMGLLCA1
SCHEMBL15327066 0.79 CCR2 (0.39) CCR2
SCHEMBL7890484 0.79 CA1 (0.47) CA1CA2ACHEALDH1A1GAA
SCHEMBL15327849 0.78 TRPV1 (0.46) CA1CA2CCR2TRPV1
SCHEMBL31603163 0.77 ALDH1A1 (0.48) CA1CA2ACHEALDH1A1GAA
SCHEMBL27833036 0.77 CA1 (0.44) MGLLCA1CA2ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633237-B2 Indane derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-21 US disclosed
US-8633237-B2 Indane derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-21 US disclosed
EP-2417101-B1 INDANE DERIVATIVES MERCK SHARP & DOHME (NL) 2013-10-23 EP disclosed
EP-2417101-B1 INDANE DERIVATIVES MERCK SHARP & DOHME (NL) 2013-10-23 EP disclosed
US-20120202781-A1 INDANE DERIVATIVES MSD OSS B.V. (NL) 2012-08-09 US disclosed
US-20120202781-A1 INDANE DERIVATIVES MSD OSS B.V. (NL) 2012-08-09 US disclosed
WO-2010115952-A1 INDANE DERIVATIVES N.V. ORGANON (NL) 2010-10-14 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-20120202781-A1 INDANE DERIVATIVES CHRNA5, CHRNA2, GRIK5 TACR1 397/4885PRKCA 2681/4885PRKCD 1252/4885

“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.