SCHEMBL1502335

SCHEMBL1502335

CCOc1cc(N)c(Br)cc1C(=O)NCC1CNCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.47
SLC6A4 P31645 2/20 0.47
HTR2B P41595 2/20 0.47
CYP1A2 P05177 2/20 0.47
ADRA2A P08913 2/20 0.47
DRD3 P35462 2/20 0.47
KCNH2 Q12809 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2C9 P11712 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2C P28335 1/20 0.47
CYP2C19 P33261 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CHEK1 O14757 3/20 0.44
ADRB2 P07550 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL1502385 0.90 KDM4E (0.52) HTR1ACYP1A2ADRA2ADRD3MEN1
SCHEMBL1501979 0.88 HTR1A (0.60) HTR1ASLC6A4HTR2BCYP1A2ADRA2A
SCHEMBL3633425 0.84 CHEK1 (0.48) HTR1ASLC6A4HTR2BCYP1A2ADRA2A
SCHEMBL1502088 0.81 LMNA (0.52) HTR1ASLC6A4HTR2BCYP1A2ADRA2A
SCHEMBL1501969 0.78 HTR4 (0.66) HTR2BCYP1A2ADRA2ADRD3KCNH2
Hydrochloric Acid SCHEMBL9021789 0.77 HTR4 (0.65) KDM4EHTR4DRD2
SCHEMBL1501974 0.77 CHEK1 (0.44) CYP1A2KCNH2MEN1KMT2ACYP2C19
SCHEMBL1502407 0.76 HTR4 (0.48) HTR1ASLC6A4HTR2BCYP1A2ADRA2A
SCHEMBL23015577 0.76 ACHE (0.55) HTR1ACYP1A2ADRA2ADRD3MEN1
SCHEMBL1502205 0.76 HTR4 (0.52) HTR1ASLC6A4HTR2BCYP1A2ADRA2A

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 HTR1A 5/4885SLC6A4 89/4885HTR2B 34/4885

“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.