SCHEMBL586548

SCHEMBL586548

NC1CCc2cc(Cc3cc(CO)cc(C(F)(F)F)c3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HSD11B1 P28845 1/20 0.34
ADRB2 P07550 1/20 0.34
TBXA2R P21731 1/20 0.34
GRIA2 P42262 2/20 0.33
S1PR1 P21453 1/20 0.33
PNMT P11086 1/20 0.33
CCR2 P41597 3/20 0.33
OPRD1 P41143 2/20 0.33
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33

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
SCHEMBL28792836 0.82 HSD11B1 (0.43) RXRARXRBRXRGHSD11B1PNMT
SCHEMBL3531383 0.80 ESR1 (0.41) HSD11B1OPRD1
SCHEMBL3531382 0.80 ESR1 (0.41) HSD11B1OPRD1
SCHEMBL15338340 0.79 CCR2 (0.40) RXRARXRBRXRGGRIA2CCR2
SCHEMBL7899877 0.79 HTR1A (0.44) RXRARXRBRXRGGRIA2CCR2
SCHEMBL584573 0.79 RXRA (0.39) RXRARXRBRXRGGRIA2PRKCA
SCHEMBL584574 0.79 RXRA (0.39) RXRARXRBRXRGGRIA2PRKCA
SCHEMBL7898940 0.77 GRIA2 (0.58) CYP11B1CYP11B2GRIA2CCR2
SCHEMBL7897265 0.77 GRIA2 (0.36) RXRARXRBRXRGADRB2TBXA2R
SCHEMBL7898318 0.76 GRIA2 (0.47) CYP11B1CYP11B2GRIA2CCR2

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 12 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
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
US-20120202781-A1 INDANE DERIVATIVES MSD OSS B.V. (NL) 2012-08-09 US disclosed
CN-102365265-A Indane derivatives ORGANON NV 2012-02-29 CN 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
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 RXRA 734/4885RXRB 762/4885RXRG 1298/4885

“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.