SCHEMBL7168520

SCHEMBL7168520

CNCCc1c(C)cn2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.39
ATM Q13315 1/20 0.39
HTR6 P50406 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNA4 P43681 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL7169393 0.84 KDM4E (0.35) ATMHRH3ALDH1A1KDM4EMEN1
SCHEMBL17484544 0.81 KDM4E (0.38) ATMHRH3ALDH1A1KDM4EMEN1
SCHEMBL7167047 0.80 ALDH1A1 (0.40) ATMHRH3ALDH1A1KDM4EMEN1
SCHEMBL7167022 0.80 TAAR1 (0.40) TAAR1ATMHTR6ALDH1A1KDM4E
SCHEMBL1436027 0.78 HRH3 (0.40) ATMHRH3ALDH1A1KDM4EMEN1
SCHEMBL17481983 0.77 KDM4E (0.33) ATMHRH3ALDH1A1KDM4EMEN1
SCHEMBL7167374 0.77 HTR6 (0.40) TAAR1HTR6
SCHEMBL7169382 0.75 HTR6 (0.39) ATMHTR6ALDH1A1KDM4EMEN1
SCHEMBL7169848 0.71 TAAR1 (0.46) TAAR1ATMHTR6HRH3ALDH1A1
SCHEMBL2768547 0.71 EGFR (0.47) ATMALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6572664-B2 Oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2003-06-03 US claimed
US-20020170121-A9 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same L'OREAL S.A. (FR) 2002-11-21 US claimed
US-20020002749-A1 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same BRETON PHILIPPE (FR) 2002-01-10 US claimed
EP-1129691-A2 Compositions for dyeing keratinous fibers containing indolizine derivatives and dyeing method using same L'OREAL (FR) 2001-09-05 EP claimed
US-6572664-B2 Oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2003-06-03 US disclosed
US-20020170121-A9 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same L'OREAL S.A. (FR) 2002-11-21 US disclosed
US-20020002749-A1 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same BRETON PHILIPPE (FR) 2002-01-10 US disclosed
EP-1129691-A2 Compositions for dyeing keratinous fibers containing indolizine derivatives and dyeing method using same L'OREAL (FR) 2001-09-05 EP 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-20020002749-A1 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same KRT18, INMT, IDO1 TAAR1 1146/4885ATM 1924/4885HTR6 814/4885
US-20020170121-A9 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same KRT18, INMT, IDO1 TAAR1 1146/4885ATM 1924/4885HTR6 814/4885

“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.