SCHEMBL6410308

SCHEMBL6410308

O=C1NC(CN2CCC(Cc3cc(Cl)ccc3Cl)CC2)CCN1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.39
SLC6A4 P31645 2/20 0.37
OPRM1 P35372 3/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
HTR1A P08908 1/20 0.35
GPBAR1 Q8TDU6 2/20 0.35
CHRM3 P20309 2/20 0.34
PDE9A O76083 1/20 0.34
KCNH2 Q12809 1/20 0.34
CHRM2 P08172 1/20 0.34
CNR1 P21554 1/20 0.34
ACHE P22303 1/20 0.34
HTR4 Q13639 1/20 0.34
EPHX2 P34913 1/20 0.34
P2RX7 Q99572 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
SCHEMBL6415111 0.92 CCR3 (0.41) CCR3SLC6A4OPRM1OPRD1OPRK1
SCHEMBL6411807 0.90 RAB9A (0.38) CCR3SLC6A4OPRM1OPRK1OPRL1
SCHEMBL6414602 0.90 HTR1A (0.41) SLC6A4OPRM1OPRD1OPRK1OPRL1
SCHEMBL6417546 0.88 HTR1A (0.51) CCR3SLC6A4OPRM1OPRL1HTR1A
SCHEMBL6419643 0.86 HTR1A (0.41) SLC6A4HTR1AACHEHTR4
SCHEMBL6414775 0.85 HTR1A (0.42) CCR3SLC6A4HTR1AKCNH2ACHE
SCHEMBL6618151 0.84 CCR3 (0.38) CCR3SLC6A4OPRM1OPRD1OPRK1
SCHEMBL6412805 0.82 HTR1A (0.41) SLC6A4OPRM1OPRD1OPRK1OPRL1
SCHEMBL6415130 0.82 RAB9A (0.39) CCR3SLC6A4OPRM1OPRK1OPRL1
SCHEMBL6416533 0.81 HTR1A (0.43) SLC6A4HTR1AKCNH2

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 CCR3 4569/4885SLC6A4 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.