SCHEMBL16486306

SCHEMBL16486306

Cc1nnc([C@H]2CC[C@@H](N(C)C(=O)c3ccc(-c4nc5ccccc5o4)cc3)C2)o1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FASN P49327 18/20 0.65
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL16487426 0.89 FASN (0.51) FASN
SCHEMBL16486553 0.89 FASN (0.62) FASNMAPTKDM4ENPC1ALDH1A1
SCHEMBL16486572 0.89 FASN (0.64) FASNMAPTKDM4ENPC1ALDH1A1
SCHEMBL16486330 0.88 FASN (0.50) FASNKDM4ENPC1ALDH1A1HPGD
SCHEMBL16486319 0.87 FASN (0.62) FASN
SCHEMBL16513079 0.86 FASN (0.64) FASNMAPTKDM4ENPC1ALDH1A1
SCHEMBL22220990 0.86 FASN (0.66) FASNMAPTKDM4ENPC1ALDH1A1
SCHEMBL16486505 0.86 FASN (0.64) FASNMAPTKDM4ENPC1ALDH1A1
SCHEMBL16486321 0.86 FASN (0.66) FASNMAPTKDM4ENPC1ALDH1A1
SCHEMBL16486849 0.86 FASN (0.64) FASNMAPTKDM4ENPC1ALDH1A1

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 23 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-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
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 1/4885MAPT 4694/4885KDM4E 2000/4885
US-10118919-B2 3-substituted cyclopentylamine derivatives FASN, FADS1, ACOX3 FASN 1/4885MAPT 4694/4885KDM4E 2000/4885
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC FASN 2790/4885MAPT 118/4885KDM4E 3693/4885
US-20160200714-A1 3-SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES FASN, FADS1, ACOX3 FASN 1/4885MAPT 4694/4885KDM4E 2000/4885

“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.