SCHEMBL8773858

SCHEMBL8773858

CC(=O)COc1cc(CC2CCN(CCc3ccc4c(c3)C(=O)CCO4)CC2)ccc1Br

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.78
SLC6A4 P31645 20/20 0.78
CYP2D6 P10635 5/20 0.72

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
SCHEMBL1162833 0.93 HTR1A (0.77) HTR1ASLC6A4CYP2D6
Hydrochloric Acid SCHEMBL1162429 0.92 HTR1A (0.76) HTR1ASLC6A4CYP2D6
SCHEMBL15871253 0.90 HTR1A (0.73) HTR1ASLC6A4CYP2D6
SCHEMBL11949164 0.89 HTR1A (0.86) HTR1ASLC6A4CYP2D6
SCHEMBL1344845 0.89 HTR1A (0.83) HTR1ASLC6A4CYP2D6
Hydrochloric Acid SCHEMBL1345132 0.88 HTR1A (0.82) HTR1ASLC6A4CYP2D6
SCHEMBL1344325 0.88 HTR1A (1.00) HTR1ASLC6A4CYP2D6
Bromide SCHEMBL1347120 0.87 HTR1A (0.98) HTR1ASLC6A4CYP2D6
Hydrochloric Acid SCHEMBL1345892 0.87 HTR1A (0.98) HTR1ASLC6A4CYP2D6
Fumaric Acid SCHEMBL1347514 0.86 HTR1A (0.88) 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-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 HTR1A 2/4885SLC6A4 23/4885CYP2D6 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.