SCHEMBL5779788

SCHEMBL5779788

COc1ncccc1CC=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.46
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
KDM1A O60341 5/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 1/20 0.43
APLNR P35414 1/20 0.40
BTK Q06187 1/20 0.40
NFE2L2 Q16236 2/20 0.38
HTR2B P41595 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
IDH1 O75874 1/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35

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
SCHEMBL29138539 0.84 SLC13A5 (0.51) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL91503 0.81 SLC13A5 (0.50) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL6588356 0.79 SLC13A5 (0.49) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL2753934 0.76 SLC13A5 (0.41) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL18440 0.76 MEN1 (0.60) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL18291875 0.76 SLC13A5 (0.49) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL1645573 0.76 P2RX7 (0.41) MEN1KMT2A
SCHEMBL2960548 0.76 SLC13A5 (0.49) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL31365171 0.76 MEN1 (0.60) SLC13A5HTR2AHTR2CKDM1AMAOA
SCHEMBL129593 0.76 KDM1A (0.46) SLC13A5HTR2AHTR2CKDM1AMAOA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970305-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
WO-2015187934-A1 FUNCTIONALIZED HETROARYL ENONES EXHIBITING NRF2 ACTIVATION AND THEIR METHOD OF USE CUREVEDA, LLC (US) 2015-12-10 WO disclosed
WO-2014151142-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-09-25 WO disclosed
EP-1254904-B1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2006-05-24 EP disclosed
US-6784192-B2 NA+ CHANNEL INHIBITORY ACTION IS USEFUL FOR THERAPY AND PREVENTION FOR EXAMPLE, ARRHYTHMIA, VARIOUS NEURALGIAS AND ANALGESIC EISAI CO., LTD. (JP) 2004-08-31 US disclosed
US-20030220368-A1 Novel piperidine compouds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-11-27 US disclosed
EP-1254904-A1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 EP 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-20030220368-A1 Novel piperidine compouds and drugs containing the same TRPV1, CACNA1D, KCND2 SLC13A5 202/4885HTR2A 439/4885HTR2C 353/4885

“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.