SCHEMBL6418137

SCHEMBL6418137

CCCN1CC(CN2CCC(Cc3cc(OCC)ccc3Cl)CC2)COC1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.47
SLC6A4 P31645 11/20 0.47
CYP2D6 P10635 4/20 0.47
MAOB P27338 1/20 0.36
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CCR3 P51677 1/20 0.34
CCR5 P51681 1/20 0.34
ACHE P22303 1/20 0.33
HTR4 Q13639 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
SCHEMBL6412724 0.92 HTR1A (0.52) HTR1ASLC6A4CYP2D6CCR3CCR5
SCHEMBL6420212 0.92 HTR1A (0.45) HTR1ASLC6A4CYP2D6THRBCCR3
SCHEMBL6411493 0.90 HTR1A (0.47) HTR1ASLC6A4CYP2D6CCR3
SCHEMBL6412207 0.89 HTR1A (0.53) HTR1ASLC6A4CYP2D6
SCHEMBL6411343 0.89 HTR1A (0.49) HTR1ASLC6A4CYP2D6MAOBKDM4E
SCHEMBL6413556 0.88 SLC6A4 (0.38) HTR1ASLC6A4CCR3
SCHEMBL6414678 0.87 CCR3 (0.37) HTR1ASLC6A4CCR3CCR5
SCHEMBL6416536 0.86 HTR1A (0.45) HTR1ASLC6A4CYP2D6MAOBACHE
SCHEMBL6417821 0.86 HTR1A (0.45) HTR1ASLC6A4CYP2D6MAOBTHRB
SCHEMBL6411222 0.84 HTR1A (0.44) HTR1ASLC6A4CYP2D6MAOB

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.