SCHEMBL6416434

SCHEMBL6416434

O=C1SC(CN2CCC(Cc3cc(Cl)ccc3Cl)CC2)CN1c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CNR1 P21554 6/20 0.38
SLC6A4 P31645 3/20 0.38
CCR3 P51677 1/20 0.38
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35
CCR2 P41597 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC6A2 P23975 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
SCHEMBL6416360 0.94 SLC6A4 (0.40) MEN1KMT2APOLBSLC6A4CCR3
SCHEMBL6415056 0.92 GRIN1 (0.35) MEN1KMT2APOLBCNR1SLC6A4
SCHEMBL6412140 0.92 HTR1A (0.46) MEN1KMT2APOLBSLC6A4CCR3
SCHEMBL6417425 0.90 HTR1A (0.43) CNR1SLC6A4HTR1ASIGMAR1
SCHEMBL6413317 0.90 HTR1A (0.50) MEN1KMT2APOLBSLC6A4CCR3
SCHEMBL6411958 0.88 HTR1A (0.41) CNR1SLC6A4LMNAMAPTHTR1A
SCHEMBL6417247 0.87 HTR1A (0.41) CNR1SLC6A4CCR3HTR1ADRD2
SCHEMBL6415069 0.85 HTR1A (0.52) SLC6A4CCR3HTR1ACCR2SIGMAR1
SCHEMBL6413041 0.84 MEN1 (0.39) MEN1KMT2APOLBCNR1SLC6A4
SCHEMBL6417606 0.84 P2RX7 (0.41) MEN1KMT2ASLC6A4CCR3HTR1A

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.