SCHEMBL14038121

SCHEMBL14038121

CCC1=CCN(C(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
CHRNA7 P36544 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ESRRB O95718 1/20 0.32
ESR1 P03372 1/20 0.32
ESRRG P62508 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL22648304 0.82 CHRNA7 (0.38) KDM4ECHRNA7
SCHEMBL18125591 0.82 KDM4E (0.38) KDM4ENPC1LMNAALOX15HTT
SCHEMBL24224469 0.79 KDM4E (0.36) KDM4ENPC1LMNAALOX15HTT
SCHEMBL24819627 0.79
SCHEMBL22057852 0.77 KCNH2 (0.37) KDM4ENPC1LMNAALOX15HTT
SCHEMBL22057222 0.75 KDM4E (0.34) KDM4ENPC1LMNAALOX15HTT
SCHEMBL1109602 0.72 LMNA (0.41) KDM4ENPC1LMNAALOX15HTT
SCHEMBL7607024 0.72
SCHEMBL13538566 0.72 PPARD (0.33) KDM4ENPC1LMNAALOX15HTT
SCHEMBL21784064 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 US disclosed
US-11248000-B2 Quinazoline and indole compounds to treat medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2022-02-15 US disclosed
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-22 US disclosed
WO-2021105960-A1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LIMITED (IN) 2021-06-03 WO disclosed
US-20200165262-A1 Quinazoline and Indole Compounds to Treat Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-05-28 US disclosed
US-20190016723-A9 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-01-17 US disclosed
US-20180194768-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-07-12 US disclosed
EP-3085695-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2016-10-26 EP disclosed
US-20160089375-A1 TOPICAL OCULAR ANALGESIC AGENTS NOVARTIS AG (CH) 2016-03-31 US disclosed
WO-2015093534-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR 日産化学工業株式会社 2015-06-25 WO disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US 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 (8 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-20160089375-A1 TOPICAL OCULAR ANALGESIC AGENTS OPRK1, OPRL1, QDPR KDM4E 4062/4885NPC1 2667/4885LMNA 4616/4885
US-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 KDM4E 369/4885NPC1 2269/4885LMNA 3258/4885
US-20180194768-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 KDM4E 1920/4885NPC1 801/4885LMNA 1974/4885
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK KDM4E 1748/4885NPC1 991/4885LMNA 4186/4885
US-11248000-B2 Quinazoline and indole compounds to treat medical disorders CFB, TFPI, MAOB KDM4E 4559/4885NPC1 762/4885LMNA 1537/4885
US-20200165262-A1 Quinazoline and Indole Compounds to Treat Medical Disorders CFB, TFPI, MAOB KDM4E 4559/4885NPC1 762/4885LMNA 1537/4885
US-20190016723-A9 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 KDM4E 2236/4885NPC1 721/4885LMNA 2131/4885
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof IDE, SI, GPR119 KDM4E 2236/4885NPC1 721/4885LMNA 2131/4885

“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.