SCHEMBL8773392

SCHEMBL8773392

Cc1ccc2occ(O)c(=O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
MAOB P27338 12/20 0.58
MAOA P21397 6/20 0.58
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
USP2 O75604 1/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
CYP1A2 P05177 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL30649150 1.00 ALDH1A1 (0.59) ALDH1A1MAOBMAOACYP3A4CYP2D6
Hydrogen Sulfide SCHEMBL27855781 0.82 CA12 (0.44) ALDH1A1MAOBMAOACYP3A4CYP2D6
SCHEMBL5013425 0.81 ALDH1A1 (0.58) ALDH1A1MAOBMAOACYP3A4CYP2D6
SCHEMBL27700653 0.79 ALDH1A1 (0.55) ALDH1A1MAOBMAOACYP3A4CYP2D6
SCHEMBL16982170 0.79 ALDH1A1 (0.55) ALDH1A1MAOBMAOACYP3A4CYP2D6
SCHEMBL11564497 0.79 ALDH1A1 (0.55) ALDH1A1MAOBMAOACYP3A4CYP2D6
SCHEMBL9056199 0.79 ALDH1A1 (0.55) ALDH1A1MAOBMAOACYP3A4CYP2D6
SCHEMBL29116198 0.79 ALDH1A1 (0.55) ALDH1A1MAOBMAOACYP3A4CYP2D6
SCHEMBL5013421 0.79 ALDH1A1 (0.55) ALDH1A1MAOBMAOACYP3A4CYP2D6
SCHEMBL11513004 0.78 MAOB (0.67) ALDH1A1MAOBMAOACYP3A4CYP2D6

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 ALDH1A1 1160/4885MAOB 75/4885MAOA 104/4885

“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.