SCHEMBL4748786

SCHEMBL4748786

COC(=O)C1(C)CCN1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.44
ALDH1A1 P00352 4/20 0.44
EPHX2 P34913 1/20 0.43
CYP3A4 P08684 4/20 0.42
TSHR P16473 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL11295999 1.00 CYP2D6 (0.44) CYP2D6ALDH1A1EPHX2CYP3A4TSHR
SCHEMBL25000116 0.92 CYP2D6 (0.48) CYP2D6ALDH1A1CYP3A4TSHRMEN1
SCHEMBL27979606 0.86 GAA (0.45) CYP2D6ALDH1A1EPHX2CYP3A4TSHR
SCHEMBL11301180 0.86 CYP3A4 (0.53) CYP2D6ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL27524659 0.83 CYP2D6 (0.49) CYP2D6ALDH1A1CYP3A4TSHRMEN1
SCHEMBL2072649 0.82 ALDH1A1 (0.40) CYP2D6ALDH1A1CYP3A4TSHRMEN1
SCHEMBL16589463 0.79 L3MBTL1 (0.41) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL21908926 0.78 CYP3A4 (0.41) ALDH1A1CYP3A4TSHRMEN1KMT2A
SCHEMBL28725843 0.77 MAPT (0.47) CYP2D6MEN1KMT2AKDM4EMAPT
SCHEMBL15924822 0.77 CYP2D6 (0.43) CYP2D6ALDH1A1CYP3A4TSHRMEN1

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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
EP-2665704-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES Galapagos NV (BE) 2013-11-27 EP disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
WO-2012098033-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2012-07-26 WO disclosed
WO-2008135525-A2 SUBSTITUTED AZETIDINES, MANUFACTURING AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 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 (2 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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC CYP2D6 1784/4885ALDH1A1 1373/4885EPHX2 2184/4885
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC CYP2D6 1784/4885ALDH1A1 1373/4885EPHX2 2184/4885

“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.