SCHEMBL8002090

SCHEMBL8002090

COc1cc(N)c(Cl)cc1C(=O)NCC1CN(CC2CCN(C(=O)OC(C)(C)C)CC2)CCCO1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 13/20 0.55
KCNH2 Q12809 4/20 0.55
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
DRD3 P35462 2/20 0.53

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
SCHEMBL3405358 0.95 HTR4 (0.56) HTR4KCNH2DRD2DRD4DRD3
SCHEMBL3404390 0.95 HTR4 (0.56) HTR4KCNH2DRD2DRD4DRD3
SCHEMBL1502259 0.95 HTR4 (0.56) HTR4KCNH2DRD2DRD4DRD3
SCHEMBL8006434 0.88 HTR4 (0.52) HTR4KCNH2DRD2DRD4DRD3
SCHEMBL3408390 0.88 KCNH2 (0.63) HTR4KCNH2DRD2DRD4DRD3
SCHEMBL1502106 0.88 KCNH2 (0.63) HTR4KCNH2DRD2DRD4DRD3
SCHEMBL3402350 0.88 KCNH2 (0.63) HTR4KCNH2DRD2DRD4DRD3
SCHEMBL1502057 0.88 KCNH2 (0.51) HTR4KCNH2DRD2DRD4DRD3
SCHEMBL1501959 0.87 KCNH2 (0.56) HTR4KCNH2DRD2DRD4DRD3
SCHEMBL1502007 0.87 HTR4 (0.58) HTR4KCNH2DRD2DRD4DRD3

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
US-7906510-B2 Amide derivative and pharmaceutical composition containing the same Dainippon Sumito Pharma Co., Ltd. (JP) 2011-03-15 US disclosed
US-7906510-B2 Amide derivative and pharmaceutical composition containing the same Dainippon Sumito Pharma Co., Ltd. (JP) 2011-03-15 US disclosed
EP-2256114-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-12-01 EP disclosed
US-20100249399-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Sumitomo Pharma Co., Ltd. (JP) 2010-09-30 US disclosed
US-20100249399-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Sumitomo Pharma Co., Ltd. (JP) 2010-09-30 US disclosed
WO-2009104729-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME 大日本住友製薬株式会社 (JP) 2009-08-27 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-20100249399-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME HTR4, MC2R, HTR1D HTR4 1/4885KCNH2 4145/4885DRD2 155/4885

“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.