SCHEMBL6420118

SCHEMBL6420118

CN1C(=O)N(C2CCCCC2)CC1CN1CCC(Cc2cc(Cl)ccc2Br)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.43
SLC6A4 P31645 15/20 0.43
P2RX7 Q99572 1/20 0.43
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
UTS2R Q9UKP6 2/20 0.35
CCR5 P51681 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL6410257 0.93 HTR1A (0.43) HTR1ASLC6A4P2RX7NOS3NOS1
SCHEMBL6412795 0.90 P2RX7 (0.46) HTR1ASLC6A4P2RX7UTS2RCCR5
SCHEMBL6412730 0.89 SLC6A4 (0.43) HTR1ASLC6A4CCR5
SCHEMBL6411158 0.87 SLC6A4 (0.54) HTR1ASLC6A4
SCHEMBL6617713 0.86 HTR1A (0.43) HTR1ASLC6A4NOS3NOS1NOS2
SCHEMBL6412230 0.85 HTR1A (0.48) HTR1ASLC6A4CYP2D6
SCHEMBL6412226 0.85 HTR1A (0.49) HTR1ASLC6A4CYP2D6
SCHEMBL6411727 0.83 P2RX7 (0.44) HTR1ASLC6A4P2RX7UTS2R
SCHEMBL6411636 0.81 SLC6A4 (0.43) HTR1ASLC6A4
SCHEMBL6411836 0.81 P2RX7 (0.39) HTR1ASLC6A4P2RX7CCR5

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 2/4885P2RX7 597/4885

“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.