SCHEMBL1317540

SCHEMBL1317540

COCC1CN(Cc2ccccc2)CCO1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 20/20 0.73
DRD2 P14416 1/20 0.64
DRD3 P35462 1/20 0.64
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59

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
SCHEMBL9582052 1.00 DRD4 (0.73) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL9582407 1.00 DRD4 (0.73) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL23581719 0.87 DRD4 (0.57) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL23581705 0.87 DRD4 (0.57) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL23581706 0.87 DRD4 (0.57) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL1927637 0.86 DRD4 (0.63) DRD4DRD2
SCHEMBL9581802 0.86 DRD4 (0.66) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL3487336 0.84 DRD4 (0.64) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL13734323 0.84 DRD4 (0.85) DRD4
SCHEMBL13734321 0.84 DRD4 (0.85) DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380878-B1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO CO LTD (JP) 2013-08-14 EP disclosed
EP-2380878-B1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO CO LTD (JP) 2013-08-14 EP disclosed
CN-102325754-A Cyclic compound having hetero atom DAIICHI SANKYO CO LTD 2012-01-18 CN disclosed
US-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-03 US disclosed
US-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-03 US disclosed
US-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-03 US disclosed
EP-2380878-A1 CYCLIC COMPOUND HAVING HETERO ATOM Daiichi Sankyo Company, Limited (JP) 2011-10-26 EP disclosed
WO-2010082563-A1 CYCLIC COMPOUND HAVING HETERO ATOM 第一三共株式会社 (JP) 2010-07-22 WO disclosed
US-5191079-A Chemical intermediates for bactericides KANEBO, LTD. (JP) 1993-03-02 US disclosed
US-5166203-A QUINOLINECARBOXYLIC ACID DERIVATIVES, ANTIBACTERIAL AGENT CONTAINING THE SAME KANEBO, LTD. (JP) 1992-11-24 US disclosed
EP-0472826-A2 Novel quinolinecarboxylic acid derivatives, use thereof, antibacterial agent containing the same, process for preparing said compounds and intermediate compound KANEBO LTD. (JP) 1992-03-04 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-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM BMP2, BMP4, BMP1 DRD4 4166/4885DRD2 4317/4885DRD3 4284/4885

“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.