SCHEMBL8773492

SCHEMBL8773492

CCCc1ccc2c(c1)C(=O)C(O)CO2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.53
SLC6A4 P31645 4/20 0.53
CYP2D6 P10635 2/20 0.53
MAOB P27338 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
CYP19A1 P11511 3/20 0.39
CYP3A4 P08684 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL27872267 0.84 HTR1A (0.48) HTR1ASLC6A4CYP2D6MAOBCYP19A1
SCHEMBL8773386 0.78 CYP19A1 (0.60) HTR1ASLC6A4CYP2D6MAOBCYP19A1
SCHEMBL1162552 0.78 HTR1A (0.43) HTR1ASLC6A4CYP2D6MAOBCNR2
SCHEMBL8773410 0.73 HTR1A (0.47) HTR1ASLC6A4CYP2D6MAOBCNR1
SCHEMBL8278097 0.72 MAOB (0.45) HTR1ASLC6A4CYP2D6MAOBCYP19A1
SCHEMBL7241604 0.71 CYP19A1 (0.59) HTR1AMAOBCYP19A1
SCHEMBL68086 0.71 CYP19A1 (0.59) HTR1AMAOBCYP19A1
SCHEMBL11949161 0.71 HTR1A (0.45) HTR1ASLC6A4CYP2D6MAOBCNR1
SCHEMBL11867423 0.70 THRA (0.45) SLC6A4CYP3A4ALDH1A1TP53ALOX5
SCHEMBL8773397 0.70 PDK2 (0.38) CNR1CNR2MEN1KMT2A

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.