SCHEMBL6417249

SCHEMBL6417249

CC(C)Oc1ccc(Br)c(CC2CCN(CC3CN(Cc4ccccc4)C(=O)S3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.49
SLC6A4 P31645 16/20 0.49
CYP2D6 P10635 1/20 0.47
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL6417768 0.92 HTR1A (0.51) HTR1ASLC6A4CYP2D6
SCHEMBL6416088 0.91 HTR1A (0.49) HTR1ASLC6A4CYP2D6MEN1POLB
SCHEMBL6416743 0.91 HTR1A (0.60) HTR1ASLC6A4MEN1POLBKMT2A
SCHEMBL6412626 0.89 HTR1A (0.49) HTR1ASLC6A4CYP2D6ATM
SCHEMBL6412240 0.89 HTR1A (0.49) HTR1ASLC6A4CYP2D6
SCHEMBL6420491 0.87 HTR1A (0.49) HTR1ASLC6A4CYP2D6
SCHEMBL6417543 0.86 SLC6A4 (0.47) HTR1ASLC6A4CYP2D6
SCHEMBL6420119 0.85 SLC6A4 (0.44) HTR1ASLC6A4ATM
SCHEMBL6417120 0.84 ATM (0.43) HTR1ASLC6A4ATM
SCHEMBL6417926 0.84 HTR1A (0.49) HTR1ASLC6A4CYP2D6

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.