SCHEMBL8773513

SCHEMBL8773513

COCOCCOc1cc(CC2CCN(C(C)=O)CC2)ccc1Br

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.55
HTR1A P08908 16/20 0.50
CYP2D6 P10635 7/20 0.49

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
SCHEMBL6115017 0.90 SLC6A4 (0.52) SLC6A4HTR1ACYP2D6
SCHEMBL8773516 0.86 SLC6A4 (0.65) SLC6A4HTR1ACYP2D6
SCHEMBL1344469 0.84 SLC6A4 (0.65) SLC6A4HTR1ACYP2D6
SCHEMBL8773508 0.81 SLC6A4 (0.82) SLC6A4HTR1ACYP2D6
SCHEMBL8837960 0.80 SLC6A4 (0.59) SLC6A4HTR1ACYP2D6
SCHEMBL9943151 0.78 SLC6A4 (0.72) SLC6A4HTR1ACYP2D6
SCHEMBL27892028 0.76 SLC6A4 (0.60) SLC6A4HTR1ACYP2D6
SCHEMBL8773500 0.75 HTR1A (0.88) SLC6A4HTR1ACYP2D6
SCHEMBL6115087 0.75 HTR1A (0.49) SLC6A4HTR1ACYP2D6
SCHEMBL8773592 0.74 SLC6A4 (0.47) SLC6A4HTR1ACYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778970-B2 Benzyl piperidine compound DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-07-15 US disclosed
US-8778970-B2 Benzyl piperidine compound DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-07-15 US disclosed
US-20120130077-A1 BENZYL PIPERIDINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-24 US 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-20120130077-A1 BENZYL PIPERIDINE COMPOUND HTR1D, HTR1A, HTR1B SLC6A4 23/4885HTR1A 2/4885CYP2D6 620/4885

“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.