SCHEMBL1502183

SCHEMBL1502183

COc1nc(N)c(Br)cc1C(=O)NCC1CN(CC2CCN(C(=O)N(C)C)CC2)CCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.43
ACHE P22303 2/20 0.43
DRD3 P35462 2/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2B P41595 1/20 0.38
KCNH2 Q12809 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
DRD2 P14416 1/20 0.37

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
SCHEMBL1502049 0.91 HTR4 (0.49) HTR4DRD3MEN1CYP1A2CYP2C19
SCHEMBL1502101 0.88 ACHE (0.42) HTR4ACHEMEN1KMT2ALMNA
SCHEMBL1502299 0.86 HTR4 (0.60) HTR4ACHEDRD3MEN1CYP1A2
SCHEMBL1502208 0.80 HTR4 (0.66) HTR4DRD3MEN1CYP1A2CYP2C19
SCHEMBL1502224 0.79 LMNA (0.42) HTR4DRD3MEN1CYP1A2CYP2C19
SCHEMBL1501911 0.76 HTR4 (0.56) HTR4DRD3MEN1CYP1A2CYP2C19
SCHEMBL1502011 0.76 KCNH2 (0.67) HTR4ACHEDRD3MEN1CYP1A2
SCHEMBL1502271 0.76 KCNH2 (0.67) HTR4ACHEDRD3MEN1CYP1A2
SCHEMBL1502171 0.75 KCNH2 (0.59) HTR4DRD3MEN1CYP1A2CYP2C19
SCHEMBL1502007 0.74 HTR4 (0.58) HTR4ACHEDRD3MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2256114-B1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAINIPPON SUMITOMO PHARMA CO (JP) 2014-06-25 EP 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

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 1/4885ACHE 2746/4885DRD3 270/4885

“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.