SCHEMBL6414602

SCHEMBL6414602

O=C1NC(CN2CCC(Cc3cc(Cl)ccc3Br)CC2)CCN1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.41
SLC6A4 P31645 12/20 0.41
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
TSHR P16473 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
KCNH2 Q12809 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
DDR1 Q08345 1/20 0.33

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
SCHEMBL6412805 0.92 HTR1A (0.41) HTR1ASLC6A4OPRM1OPRD1OPRK1
SCHEMBL6416533 0.90 HTR1A (0.43) HTR1ASLC6A4NOS3NOS1NOS2
SCHEMBL6410308 0.90 CCR3 (0.39) HTR1ASLC6A4OPRM1OPRD1OPRK1
SCHEMBL6409983 0.88 SLC6A4 (0.41) HTR1ASLC6A4OPRM1OPRK1OPRL1
SCHEMBL6411024 0.86 SLC6A4 (0.52) HTR1ASLC6A4
SCHEMBL6418986 0.85 HTR1A (0.43) HTR1ASLC6A4NOS3NOS1NOS2
SCHEMBL6615278 0.85 HTR1A (0.39) HTR1ASLC6A4OPRM1OPRD1OPRK1
SCHEMBL6412893 0.84 HTR1A (0.47) HTR1ASLC6A4
SCHEMBL6410529 0.83 HTR1A (0.47) HTR1ASLC6A4
SCHEMBL6415111 0.82 CCR3 (0.41) HTR1ASLC6A4OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065140-A1 Serotonine reuptake inhibitor SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2005-03-24 US disclosed
EP-1466901-A1 SEROTONINE REUPTAKE INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-10-13 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-20050065140-A1 Serotonine reuptake inhibitor HTR1A, SLC6A4, SLC6A2 HTR1A 1/4885SLC6A4 2/4885OPRM1 86/4885

“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.