SCHEMBL6413041

SCHEMBL6413041

O=C1SC(CN2CCC(Cc3cc(Cl)ccc3Cl)CC2)CN1CC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
CCR3 P51677 1/20 0.38
SLC6A4 P31645 3/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
P2RX7 Q99572 1/20 0.36
HTR1A P08908 1/20 0.36
CCR2 P41597 1/20 0.35
CNR1 P21554 1/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 1/20 0.34
KCNH2 Q12809 1/20 0.34
SLC6A2 P23975 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6416128 0.90 HTR1A (0.42) SLC6A4NOS3NOS1NOS2P2RX7
SCHEMBL6413207 0.90 CCR3 (0.37) CCR3SLC6A4HTR1ADRD2
SCHEMBL6412125 0.89 CCR3 (0.38) MEN1KMT2APOLBCCR3SLC6A4
SCHEMBL6411979 0.88 ALDH1A1 (0.45) MEN1KMT2APOLBCCR3SLC6A4
SCHEMBL6410448 0.87 HTR1A (0.52) CCR3SLC6A4HTR1ACCR2
SCHEMBL6417429 0.85 HTR1A (0.42) CCR3SLC6A4HTR1AMAPT
SCHEMBL6419334 0.85 HTR1A (0.43) CCR3SLC6A4HTR1ACCR2KCNH2
SCHEMBL6416434 0.84 MEN1 (0.41) MEN1KMT2APOLBCCR3SLC6A4
SCHEMBL6411542 0.83 CCR3 (0.39) MEN1KMT2APOLBCCR3SLC6A4
SCHEMBL6413804 0.82 SLC6A4 (0.39) MEN1KMT2APOLBCCR3SLC6A4

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 MEN1 2067/4885KMT2A 1358/4885POLB 2604/4885

“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.