SCHEMBL16486571

SCHEMBL16486571

Cc1nnc([C@H]2CC[C@@H](N(C)C(=O)c3ccc(-c4nc5ccccc5s4)cc3)C2)o1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FASN P49327 14/20 0.43
APP P05067 1/20 0.40
PAX8 Q06710 1/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL16487321 0.84 USP30 (0.45) FASN
SCHEMBL16486306 0.82 FASN (0.65) FASNMAPTKDM4ENPC1ALDH1A1
SCHEMBL17921558 0.81 KDM4E (0.44) FASNKMT2AKDM4ENPC1ALDH1A1
SCHEMBL16486430 0.81 KDM4E (0.44) FASNKMT2AKDM4ENPC1ALDH1A1
SCHEMBL16486438 0.79 FASN (0.44) FASNALDH1A1
SCHEMBL16486515 0.79 L3MBTL1 (0.46) FASNALDH1A1L3MBTL1
SCHEMBL16486893 0.77 EGLN1 (0.43) FASN
SCHEMBL15717437 0.75 FASN (0.44) FASNAPPPAX8GAACYP1A2
SCHEMBL15717184 0.75 FASN (0.47) FASNAPPGAACYP1A2CYP3A4
SCHEMBL16512930 0.75 CYP3A4 (0.44) FASNAPPPAX8GAACYP1A2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3033339-B1 3-SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-02-28 EP claimed
US-9790216-B2 3-substituted cyclopentylamine derivatives MERCK PATENT GMBH (DE) 2017-10-17 US claimed
US-20160200714-A1 3-SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-14 US claimed
EP-3033339-A1 3-SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES Merck Patent GmbH (DE) 2016-06-22 EP claimed
WO-2015022038-A1 3-SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-19 WO claimed
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 US disclosed
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 US disclosed
US-10118919-B2 3-substituted cyclopentylamine derivatives MERCK PATENT GMBH (DE) 2018-11-06 US disclosed
EP-3033339-B1 3-SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-02-28 EP disclosed
EP-3033339-B1 3-SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-02-28 EP disclosed
US-20180022738-A1 3-SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-9790216-B2 3-substituted cyclopentylamine derivatives MERCK PATENT GMBH (DE) 2017-10-17 US disclosed
US-9790216-B2 3-substituted cyclopentylamine derivatives MERCK PATENT GMBH (DE) 2017-10-17 US disclosed
US-9790216-B2 3-substituted cyclopentylamine derivatives MERCK PATENT GMBH (DE) 2017-10-17 US disclosed
US-20160200714-A1 3-SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-14 US disclosed
US-20160200714-A1 3-SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-14 US disclosed
US-20160200714-A1 3-SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-14 US disclosed
EP-3033339-A1 3-SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES Merck Patent GmbH (DE) 2016-06-22 EP disclosed
WO-2015022038-A1 3-SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-19 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 (4 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-20180022738-A1 3-SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES FASN, FADS1, ACOX3 FASN 1/4885APP 993/4885PAX8 4238/4885
US-10118919-B2 3-substituted cyclopentylamine derivatives FASN, FADS1, ACOX3 FASN 1/4885APP 993/4885PAX8 4238/4885
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC FASN 2790/4885APP 561/4885PAX8 3934/4885
US-20160200714-A1 3-SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES FASN, FADS1, ACOX3 FASN 1/4885APP 993/4885PAX8 4238/4885

“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.