SCHEMBL6410457

SCHEMBL6410457

CCCN1CC(CN2CCC(Cc3cc(OCC)ccc3Cl)CC2)SC1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.43
SLC6A4 P31645 13/20 0.43
CYP2D6 P10635 4/20 0.43
MAOB P27338 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.33
MAPT P10636 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
SCHEMBL6417429 0.92 HTR1A (0.42) HTR1ASLC6A4CYP2D6ALDH1A1THRB
SCHEMBL6413153 0.92 HTR1A (0.53) HTR1ASLC6A4
SCHEMBL6418705 0.89 HTR1A (0.44) HTR1ASLC6A4CYP2D6
SCHEMBL6411224 0.89 HTR1A (0.49) HTR1ASLC6A4CYP2D6
SCHEMBL6418553 0.89 HTR1A (0.50) HTR1ASLC6A4CYP2D6MAOBKDM4E
SCHEMBL6412125 0.88 CCR3 (0.38) HTR1ASLC6A4
SCHEMBL6409845 0.86 SLC6A4 (0.37) HTR1ASLC6A4
SCHEMBL6413917 0.85 HTR1A (0.42) HTR1ASLC6A4CYP2D6MAOBKDM4E
SCHEMBL6411958 0.84 HTR1A (0.41) HTR1ASLC6A4CYP2D6MAOBALDH1A1
SCHEMBL6416461 0.84 HTR1A (0.46) HTR1ASLC6A4CYP2D6MAOBALDH1A1

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 2/4885CYP2D6 323/4885

“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.