SCHEMBL6413131

SCHEMBL6413131

CC(C)N1CC(CN2CCC(Cc3cc(F)ccc3Br)CC2)OC1=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.48
SLC6A4 P31645 16/20 0.43
HTR1A P08908 14/20 0.43
CYP2D6 P10635 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL6410503 0.90 SLC6A4 (0.46) HTR2BSLC6A4HTR1ACYP2D6
SCHEMBL6418105 0.88 HTR2B (0.48) HTR2BSLC6A4HTR1ASIGMAR1
SCHEMBL6420252 0.88 HTR2B (0.48) HTR2BSLC6A4HTR1ACYP2D6SIGMAR1
SCHEMBL6415197 0.87 HTR1A (0.53) HTR2BSLC6A4HTR1ASIGMAR1
SCHEMBL6409943 0.86 HTR1A (0.51) HTR2BSLC6A4HTR1ACYP2D6
SCHEMBL6412127 0.85 SLC6A4 (0.42) SLC6A4HTR1ACYP2D6
SCHEMBL6412984 0.85 HTR1A (0.49) HTR2BSLC6A4HTR1ACYP2D6SIGMAR1
SCHEMBL6414874 0.84 SLC6A4 (0.42) HTR2BSLC6A4HTR1ASIGMAR1
SCHEMBL6419379 0.83 SLC6A4 (0.44) SLC6A4HTR1ACYP2D6
SCHEMBL6418304 0.82 HTR1A (0.50) HTR2BSLC6A4HTR1ASIGMAR1

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 HTR2B 6/4885SLC6A4 2/4885HTR1A 1/4885

“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.