SCHEMBL16486608

SCHEMBL16486608

Cc1nnc([C@H]2CC[C@@H](N(C)C(=O)c3ccc(-c4cn5cccnc5n4)cc3)C2)o1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.44
KDM4E B2RXH2 9/20 0.44
ALDH1A1 P00352 8/20 0.44
NPC1 O15118 7/20 0.44
GAA P10253 7/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
TP53 P04637 4/20 0.43
MAPT P10636 3/20 0.43
GLA P06280 6/20 0.43
HSD17B10 Q99714 5/20 0.43
HPGD P15428 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
CYP1A2 P05177 2/20 0.43
POLB P06746 2/20 0.42
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL18924331 0.80 RAB9A (0.54) RAB9AKDM4EALDH1A1NPC1GAA
SCHEMBL16487321 0.79 USP30 (0.45)
SCHEMBL16486438 0.78 FASN (0.44) ALDH1A1
SCHEMBL16322966 0.77 FASN (0.59) RAB9AKDM4EALDH1A1GAATP53
SCHEMBL16486515 0.77 L3MBTL1 (0.46) ALDH1A1
SCHEMBL16486571 0.75 FASN (0.43) RAB9AKDM4EALDH1A1NPC1GAA
SCHEMBL16486893 0.74 EGLN1 (0.43)
SCHEMBL16486306 0.74 FASN (0.65) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL19806498 0.74 RAB9A (0.63) RAB9AKDM4EALDH1A1NPC1GAA
SCHEMBL17921558 0.73 KDM4E (0.44) RAB9AKDM4EALDH1A1NPC1KMT2A

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
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed
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
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 RAB9A 2553/4885KDM4E 2000/4885ALDH1A1 1020/4885
US-10118919-B2 3-substituted cyclopentylamine derivatives FASN, FADS1, ACOX3 RAB9A 2553/4885KDM4E 2000/4885ALDH1A1 1020/4885
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC RAB9A 2204/4885KDM4E 3693/4885ALDH1A1 934/4885
US-20160200714-A1 3-SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES FASN, FADS1, ACOX3 RAB9A 2553/4885KDM4E 2000/4885ALDH1A1 1020/4885

“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.