SCHEMBL588466

SCHEMBL588466

CN(c1ncccc1C(F)(F)F)C1CCc2cc(Cc3cc(CO)cc(C(F)(F)F)c3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
P2RX7 Q99572 1/20 0.31
TACR1 P25103 2/20 0.31
CSF1R P07333 1/20 0.31
GPR52 Q9Y2T5 3/20 0.30
PTK2 Q05397 1/20 0.30
GRIA2 P42262 1/20 0.30
S1PR1 P21453 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
SCHEMBL588465 0.77 GRIA2 (0.35) P2RX7GPR52GRIA2
SCHEMBL586548 0.72 RXRA (0.36) GRIA2S1PR1
SCHEMBL7898318 0.70 GRIA2 (0.47) GRIA2
SCHEMBL15338340 0.67 CCR2 (0.40) GRIA2
SCHEMBL7899877 0.67 HTR1A (0.44) GRIA2
SCHEMBL15327849 0.66 TRPV1 (0.46) GRIA2
SCHEMBL7897265 0.66 GRIA2 (0.36) GRIA2
SCHEMBL7898940 0.66 GRIA2 (0.58) GRIA2
SCHEMBL11898515 0.64 GRIA2 (0.70) GRIA2
SCHEMBL7901349 0.64 TACR1 (0.47) TACR1

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 5 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
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
EP-2417101-A1 INDANE DERIVATIVES MSD Oss B.V. (NL) 2012-02-15 EP 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 SCN9A 696/4885GPBAR1 173/4885P2RX7 911/4885

“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.