SCHEMBL8773386

SCHEMBL8773386

Cc1ccc2c(c1)C(=O)C(O)CO2

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.60
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
KDM4E B2RXH2 2/20 0.41
RAD52 P43351 1/20 0.41
ATM Q13315 1/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A4 P31645 1/20 0.41
ACHE P22303 1/20 0.40
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAOB P27338 1/20 0.38
MMP12 P39900 1/20 0.38

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
SCHEMBL13417489 0.81 CYP19A1 (0.61) CYP19A1ALOX15ALOX12KDM4EATM
SCHEMBL68889 0.80 CYP19A1 (0.60) CYP19A1ALOX15ALOX12KDM4EATM
SCHEMBL11636075 0.80 CYP19A1 (0.56) CYP19A1ALOX15ALOX12KDM4ERAD52
SCHEMBL8773492 0.78 HTR1A (0.53) CYP19A1ALOX15ALOX12HTR1ACYP2D6
SCHEMBL17468328 0.78 CYP19A1 (0.57) CYP19A1ALOX15ALOX12KDM4EATM
SCHEMBL13223455 0.78 CYP19A1 (0.57) CYP19A1ALOX15ALOX12KDM4EACHE
SCHEMBL7241604 0.75 CYP19A1 (0.59) CYP19A1HTR1AMAOB
SCHEMBL11859656 0.75 HCRTR2 (0.44) CYP19A1ALOX15ALOX12HTR1AKMT2A
SCHEMBL68086 0.75 CYP19A1 (0.59) CYP19A1HTR1AMAOB
SCHEMBL1162552 0.75 HTR1A (0.43) CYP19A1ATMHTR1ACYP2D6SLC6A4

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 CYP19A1 1351/4885ALOX15 4479/4885ALOX12 4470/4885

“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.