SCHEMBL4380928

SCHEMBL4380928

CC(C)(N)C1CCCCN1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 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
SCHEMBL4369373 0.98 CYP2D6 (0.32) KDM4ENPC1CYP1A2CYP2D6HPGD
Hydrochloric Acid SCHEMBL2906352 0.98 KDM4E (0.35) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL588856 0.93
Hydrochloric Acid SCHEMBL2904179 0.91 KDM4E (0.40) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL1547510 0.80 CYP2D6 (0.34) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL10326679 0.80 CYP2D6 (0.34) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL3229383 0.80 CYP2D6 (0.34) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL27817246 0.79 SLC6A2 (0.31)
SCHEMBL24922624 0.78 CYP2D6 (0.33) KDM4ENPC1CYP1A2CYP2D6HPGD
SCHEMBL797872 0.78 CYP2D6 (0.33) KDM4ENPC1CYP1A2CYP2D6HPGD

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
EP-2000126-B1 HAIR DYEING COMPOSITION KAO CORP (JP) 2015-08-19 EP disclosed
US-8212037-B2 Process for production of optically active quinuclidinols KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-07-03 US disclosed
US-7736396-B2 mixing the first part containing an oxidative dye intermediate and second part containing hydrogen peroxide oxidizer immediately before use, applying mixture to the hair, leaving the hair for 1 to 60 minutes, then rinsing; 3-pyrrolidinyl-1,2,2-triethylpiperidine gives less damage to the hair; bleaching KAO CORPORATION (JP) 2010-06-15 US disclosed
US-7736396-B2 mixing the first part containing an oxidative dye intermediate and second part containing hydrogen peroxide oxidizer immediately before use, applying mixture to the hair, leaving the hair for 1 to 60 minutes, then rinsing; 3-pyrrolidinyl-1,2,2-triethylpiperidine gives less damage to the hair; bleaching KAO CORPORATION (JP) 2010-06-15 US disclosed
US-20090265864-A1 mixing the first part containing an oxidative dye intermediate and second part containing hydrogen peroxide oxidizer immediately before use, applying mixture to the hair, leaving the hair for 1 to 60 minutes, then rinsing; 3-pyrrolidinyl-1,2,2-triethylpiperidine gives less damage to the hair; bleaching KAO CORPORATION (JP) 2009-10-29 US disclosed
US-20090265864-A1 mixing the first part containing an oxidative dye intermediate and second part containing hydrogen peroxide oxidizer immediately before use, applying mixture to the hair, leaving the hair for 1 to 60 minutes, then rinsing; 3-pyrrolidinyl-1,2,2-triethylpiperidine gives less damage to the hair; bleaching KAO CORPORATION (JP) 2009-10-29 US disclosed
US-20090216019-A1 Process for Production of Optically Active Quinuclidinols KANTO KAGAKU KABUSHIKI KAISHA 2009-08-27 US disclosed
EP-2000126-A1 HAIR DYEING COMPOSITION Kao Corporation (JP) 2008-12-10 EP disclosed
EP-1867654-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL Nagoya Industrial Science Research Institute (JP) 2007-12-19 EP disclosed
US-6407103-B2 POTENT ENZYME INHIBITORS OF CYCLIN-DEPENDENT KINASES RELATING TO THE CATALYTIC SUBUNITS CDK1-9 AND THEIR REGULATORY SUBUNITS CYCLINS A-H; ANTIPROLIFERATIVE, -CARCINOGENIC AND -TUMOR AGENTS; VIRICIDES; MODULATORS OF DNA/RNA BIOSYNTHESIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-18 US disclosed
US-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses DUPONT PHARMACEUTICALS COMPANY 2001-10-04 US disclosed
US-3980788-A XANTHENYL COMPOUNDS SMITHKLINE CORPORATION (US) 1976-09-14 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 (3 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-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses CDK1, CCNA1, CDK19 KDM4E 1717/4885NPC1 3502/4885CYP1A2 1796/4885
US-20090216019-A1 Process for Production of Optically Active Quinuclidinols NQO2, ADH7, MRPL21 KDM4E 1614/4885NPC1 4318/4885CYP1A2 111/4885
US-20090265864-A1 mixing the first part containing an oxidative dye intermediate and second part containing hydrogen peroxide oxidizer immediately before use, applying mixture to the hair, leaving the hair for 1 to 60 minutes, then rinsing; 3-pyrrolidinyl-1,2,2-triethylpiperidine gives less damage to the hair; bleaching GPX4, GPX1, POLR1C KDM4E 1899/4885NPC1 4417/4885CYP1A2 332/4885

“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.