SCHEMBL4637019

SCHEMBL4637019

COc1ccc2c(c1)C(O)C(N)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
OPRM1 P35372 4/20 0.47
KYAT1 Q16773 1/20 0.44
KYAT3 Q6YP21 1/20 0.44
AADAT Q8N5Z0 1/20 0.44
HTR2A P28223 2/20 0.42
HTR1A P08908 4/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
ACHE P22303 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
SLC6A2 P23975 1/20 0.40
HRH1 P35367 1/20 0.40
HTR5A P47898 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL10321961 1.00 DRD2 (0.47) DRD2DRD3OPRM1KYAT1KYAT3
SCHEMBL10321639 0.87 DRD2 (0.47) DRD2DRD3OPRM1KYAT1KYAT3
SCHEMBL10321638 0.87 DRD2 (0.47) DRD2DRD3OPRM1KYAT1KYAT3
SCHEMBL13363972 0.84 DRD2 (0.53) DRD2DRD3HTR2AHTR2CHTR2B
SCHEMBL9688445 0.84 DRD2 (0.53) DRD2DRD3HTR2AHTR2CHTR2B
SCHEMBL6395808 0.83 NQO2 (0.41) ACHESLC6A2SLC6A3
SCHEMBL7510947 0.83 NQO2 (0.41) ACHESLC6A2SLC6A3
SCHEMBL6395804 0.83 NQO2 (0.41) ACHESLC6A2SLC6A3
SCHEMBL6395807 0.83 NQO2 (0.41) ACHESLC6A2SLC6A3
SCHEMBL13534233 0.81 OPRM1 (0.51) DRD2DRD3OPRM1HTR2AHTR1A

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
EP-2484661-B1 2,3-DIHYDRO-1H-INDENE-2-YLUREA DERIVATIVE AND PHARMACEUTICAL APPLICATION OF SAME TORAY INDUSTRIES (JP) 2017-04-26 EP disclosed
US-8653304-B2 2,3-dihydro-1H-indene-2-yl urea derivative and pharmaceutical application of same TORAY INDUSTRIES, INC. (JP) 2014-02-18 US disclosed
EP-2484661-A1 2,3-DIHYDRO-1H-INDENE-2-YLUREA DERIVATIVE AND PHARMACEUTICAL APPLICATION OF SAME Toray Industries, Inc. (JP) 2012-08-08 EP disclosed
US-20120184735-A1 2,3-DIHYDRO-1H-INDENE-2-YL UREA DERIVATIVE AND PHARMACEUTICAL APPLICATION OF SAME TORAY INDUSTRIES, INC. (JP) 2012-07-19 US disclosed
EP-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 US disclosed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 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 (2 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-20120184735-A1 2,3-DIHYDRO-1H-INDENE-2-YL UREA DERIVATIVE AND PHARMACEUTICAL APPLICATION OF SAME SLC14A1, UROD, UGP2 DRD2 2824/4885DRD3 2198/4885OPRM1 2297/4885
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof SFRP1, SOS1, FZD7 DRD2 4401/4885DRD3 3808/4885OPRM1 4190/4885

“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.