SCHEMBL5192245

SCHEMBL5192245

CN(C)CCc1cc(N)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.58
ACHE P22303 3/20 0.56
HTR7 P34969 2/20 0.47
HTR2A P28223 5/20 0.45
HTR2C P28335 4/20 0.44
HTR2B P41595 3/20 0.44
PDE10A Q9Y233 1/20 0.44
HTR1A P08908 3/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
G6PD P11413 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5190941 0.89 PRKCI (0.54) PRKCIACHEHTR7HTR2AHTR2C
SCHEMBL9759946 0.85 HTR2A (0.45) PRKCIACHEHTR7HTR2AHTR2C
SCHEMBL3338265 0.82 PRKCI (0.69) PRKCIACHEHTR2APDE10AKDM4E
SCHEMBL29834174 0.82 PRKCI (0.69) PRKCIACHEHTR2APDE10AKDM4E
SCHEMBL21214846 0.82 PRKCI (0.59) PRKCIACHEHTR2APDE10AKDM4E
SCHEMBL5190111 0.82 PRKCI (0.74) PRKCIACHEHTR2CPDE10AHTR1A
SCHEMBL12006085 0.81 TAAR1 (0.41) PRKCIACHEHTR2AHTR2CHTR2B
SCHEMBL10949866 0.79 AMY1A (0.52) HTR7HTR2AHTR2CHTR2BHTR1A
SCHEMBL5983338 0.79 HRH3 (0.50) HTR7HTR2AHTR2CHTR2BHTR1A
SCHEMBL5381058 0.79 PRKCI (0.63) PRKCIACHEPDE10AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1361851-B1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2007-02-21 EP disclosed
CN-1264498-C Primary intermediates for oxidative dyeing of hair PROCTER & GAMBLE (US) 2006-07-19 CN disclosed
US-7070630-B2 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY (US) 2006-07-04 US disclosed
CN-1607935-A Primary intermediates for oxidative dyeing of hair PROCTER & GAMBLE (US) 2005-04-20 CN disclosed
EP-1361851-A4 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2004-12-15 EP disclosed
US-20040211011-A1 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY 2004-10-28 US disclosed
US-6750339-B2 SUCH AS 4-AMINO-2-(2-DIMETHYLAMINO-ETHYL)-PHENOL; USEFUL IN PLACE OF P-AMINOPHENOL THE PROCTER AND GAMBLE COMPANY 2004-06-15 US disclosed
EP-1361851-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P & G-Clairol, Inc. (US) 2003-11-19 EP disclosed
US-20020148052-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2002-10-17 US disclosed
WO-2002058653-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G CLAIROL, INC. (US) 2002-08-01 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-20020148052-A1 Primary intermediates for oxidative coloration of hair CYC1, MT-CO1, MT-ND1 PRKCI 3484/4885ACHE 4672/4885HTR7 2412/4885
US-20040211011-A1 Primary intermediates for oxidative coloration of hair CYC1, MT-CO1, MT-ND1 PRKCI 3484/4885ACHE 4672/4885HTR7 2412/4885

“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.