SCHEMBL8773430

SCHEMBL8773430

OCCc1ccc2c(c1)C(O)CCO2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.51
CYP2D6 P10635 3/20 0.51
SLC6A4 P31645 3/20 0.51
MAP3K14 Q99558 2/20 0.46
KIF11 P52732 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX5 P09917 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
BACE1 P56817 1/20 0.37
CHEK1 O14757 1/20 0.36
BAD Q92934 1/20 0.34
PTGS2 P35354 2/20 0.33

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
SCHEMBL8773445 0.86 HTR1A (0.50) HTR1ACYP2D6SLC6A4MAP3K14KIF11
SCHEMBL27798379 0.80 HTR1A (0.37) HTR1ACYP2D6SLC6A4KIF11KDM4E
SCHEMBL3167852 0.79 CTSD (0.45) HTR1ACYP2D6SLC6A4MAP3K14BACE1
SCHEMBL3177710 0.79 CTSD (0.45) HTR1ACYP2D6SLC6A4MAP3K14BACE1
SCHEMBL28795077 0.79 KIF11 (0.46) HTR1ACYP2D6SLC6A4KIF11ALDH1A1
SCHEMBL4366274 0.75 MAP3K14 (0.53) HTR1ACYP2D6SLC6A4MAP3K14KDM4E
SCHEMBL24215112 0.75 DAO (0.47) HTR1ACYP2D6SLC6A4MAP3K14
SCHEMBL3777135 0.74 TAAR1 (0.52) CYP2D6ALDH1A1GAA
SCHEMBL1271967 0.73 MAP3K14 (0.51) HTR1ACYP2D6SLC6A4MAP3K14GAA
SCHEMBL24393413 0.73 MAP3K14 (0.75) HTR1ACYP2D6SLC6A4MAP3K14

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 6 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
EP-2463286-A1 BENZYL PIPERIDINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-06-13 EP disclosed
US-20120130077-A1 BENZYL PIPERIDINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-24 US disclosed
US-20120130077-A1 BENZYL PIPERIDINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-24 US disclosed
WO-2011016468-A1 BENZYL PIPERIDINE COMPOUND 大日本住友製薬株式会社 (JP) 2011-02-10 WO 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 2/4885CYP2D6 620/4885SLC6A4 23/4885

“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.