SCHEMBL13306290

SCHEMBL13306290

COc1ccc2c(c1)[C@H](C)CC2

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.66
HTR2A P28223 1/20 0.66
HTR2B P41595 1/20 0.66
CYP19A1 P11511 4/20 0.54
CYP11B1 P15538 1/20 0.54
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
MTNR1A P48039 4/20 0.51
SIGMAR1 Q99720 2/20 0.51
CHRNA7 P36544 1/20 0.50
NQO2 P16083 3/20 0.49
MTNR1B P49286 3/20 0.49

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
SCHEMBL12593301 1.00 HTR2C (0.66) HTR2CHTR2AHTR2BCYP19A1CYP11B1
SCHEMBL13306294 1.00 HTR2C (0.66) HTR2CHTR2AHTR2BCYP19A1CYP11B1
SCHEMBL13306289 0.89 HTR2C (0.62) HTR2CHTR2AHTR2BCYP19A1CYP11B1
SCHEMBL6797994 0.89 HTR2C (0.62) HTR2CHTR2AHTR2BCYP19A1CYP11B1
SCHEMBL2970487 0.89 HTR2C (0.62) HTR2CHTR2AHTR2BCYP19A1CYP11B1
SCHEMBL8068811 0.85 HTR2C (0.64) HTR2CHTR2AHTR2BCYP19A1DRD2
SCHEMBL16944438 0.85 HTR2C (0.64) HTR2CHTR2AHTR2BCYP19A1DRD2
SCHEMBL31525384 0.85 HTR2C (0.64) HTR2CHTR2AHTR2BCYP19A1DRD2
SCHEMBL6937686 0.82 HTR2A (0.54) HTR2CHTR2AHTR2BCYP19A1CYP11B1
SCHEMBL2463469 0.80 ACHE (0.60) HTR2CHTR2AHTR2BCYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185525-B1 PYRAZOLE 3,5 CARBOXYLATE DERIVATIVES PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2016-12-14 EP disclosed
US-9102628-B2 Derivatives of pyrazole 3,5-carboxylates, their preparation and their application in therapeutics SANOFI (FR) 2015-08-11 US disclosed
US-9102628-B2 Derivatives of pyrazole 3,5-carboxylates, their preparation and their application in therapeutics SANOFI (FR) 2015-08-11 US disclosed
US-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-06-24 US disclosed
US-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-06-24 US disclosed
EP-2098519-A1 Process for the synthesis of ramelteon and its intermediates Teva Pharmaceutical Industries Ltd. (IL) 2009-09-09 EP 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-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS CYP3A5, ADH5, AVPR2 HTR2C 1355/4885HTR2A 3029/4885HTR2B 2547/4885

“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.