SCHEMBL921890

SCHEMBL921890

CCCCCNCC(=O)N1CCC(Oc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
SCD O00767 1/20 0.53
CYP2D6 P10635 2/20 0.48
EPHX2 P34913 4/20 0.46
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
LIPE Q05469 1/20 0.45
NAMPT P43490 3/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2J2 P51589 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SLC5A7 Q9GZV3 1/20 0.42

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
SCHEMBL4578078 0.77 YAP1 (0.55) MEN1KMT2ASCDEPHX2CARM1
SCHEMBL10313329 0.75 KMT2A (0.67) MEN1KMT2ASCDNAMPT
SCHEMBL9013996 0.75 KEAP1 (0.49)
SCHEMBL11022779 0.73 KMT2A (0.56) MEN1KMT2AEPHX2NPC1RAB9A
SCHEMBL9013850 0.73 NAMPT (0.49) EPHX2NAMPT
SCHEMBL4577340 0.73 SCD (0.56) SCDEPHX2NAMPTRAB9A
SCHEMBL20857043 0.73 YAP1 (0.50) KMT2ASCDEPHX2CARM1PRMT6
SCHEMBL9014112 0.73 OPRK1 (0.53) MEN1KMT2ACARM1PRMT6NPC1
SCHEMBL2091338 0.72 EPHX2 (0.57) EPHX2CARM1PRMT6NAMPT
SCHEMBL12450862 0.72 ALDH1A1 (0.57) SCDEPHX2NAMPTCYP2C9CYP2J2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009060452-A2 METHODS AND COMPOSITIONS FOR TREATING BILIARY CHOLESTEROL CRYSTALLIZATION AND RELATED CONDITIONS GALMED INTERNATIONAL LTD. (MT) 2009-05-14 WO claimed
US-10973810-B2 Methods for the treatment of neurological disorders YUMANITY THERAPEUTICS, INC. (US) 2021-04-13 US disclosed
EP-3566055-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Yumanity Therapeutics, Inc. (US) 2019-11-13 EP disclosed
WO-2018129403-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS (US) 2018-07-12 WO disclosed
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2018-07-12 US disclosed
EP-2398809-B1 NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC (CA) 2015-07-08 EP disclosed
WO-2014091048-A1 METHODS AND KITS FOR THE PROGNOSIS OF COLORECTAL CANCER FUNDACIÓN IMDEA ALIMENTACIÓN (ES) 2014-06-19 WO disclosed
CN-101516877-B Heterocyclic organic compounds NOVARTIS AG 2013-09-11 CN disclosed
US-8383643-B2 Spiro compounds useful as inhibitors of stearoyl-coenzyme A delta-9 desaturase MERCK CANADA INC. (CA) 2013-02-26 US disclosed
EP-2459568-A1 NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Limited (CA) 2012-06-06 EP disclosed
WO-2010043052-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-04-22 WO disclosed
WO-2010037225-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-04-08 WO disclosed
WO-2010025553-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-03-11 WO disclosed
EP-2152719-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2010-02-17 EP disclosed
WO-2009129625-A1 NOVEL SUBSTITUTED HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2009-10-29 WO disclosed
CN-101516877-A Heterocyclic organic compounds NOVARTIS AG (CH) 2009-08-26 CN disclosed
WO-2009073973-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2009-06-18 WO disclosed
WO-2009060452-A2 METHODS AND COMPOSITIONS FOR TREATING BILIARY CHOLESTEROL CRYSTALLIZATION AND RELATED CONDITIONS GALMED INTERNATIONAL LTD. (MT) 2009-05-14 WO disclosed
WO-2009012573-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2009-01-29 WO disclosed
WO-2008141455-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-11-27 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-10973810-B2 Methods for the treatment of neurological disorders NLN, CLN6, OTC MEN1 2780/4885KMT2A 2541/4885SCD 1194/4885
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC MEN1 2780/4885KMT2A 2541/4885SCD 1194/4885

“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.