SCHEMBL5162948

SCHEMBL5162948

COc1cccc(CCN2CCCC2)c1N

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.72
SIGMAR1 Q99720 4/20 0.62
KCNH2 Q12809 2/20 0.60
POLB P06746 1/20 0.54
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR2A P28223 1/20 0.50

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
SCHEMBL2327709 0.79 HRH3 (0.59) HRH3SIGMAR1KCNH2HTR2A
SCHEMBL5159233 0.79 HRH3 (0.55) HRH3SIGMAR1KCNH2POLBHTR2A
Hydrochloric Acid SCHEMBL5422628 0.78 HRH3 (0.54) HRH3SIGMAR1KCNH2POLBHTR2A
SCHEMBL7838405 0.76 HRH3 (0.55) HRH3SIGMAR1KCNH2HTR2A
SCHEMBL22169121 0.76 DRD2 (0.52) HRH3SIGMAR1KCNH2POLBMEN1
Hydrochloric Acid SCHEMBL11268933 0.75 HRH3 (0.62) HRH3SIGMAR1KCNH2POLBMEN1
SCHEMBL11139082 0.75 ALOX5 (0.49) ALDH1A1
SCHEMBL7923985 0.75 HRH3 (0.82) HRH3SIGMAR1KCNH2MEN1ALDH1A1
SCHEMBL8565816 0.74 TAAR1 (0.47) ALDH1A1
Hydrochloric Acid SCHEMBL7253568 0.74 ALOX5 (0.47) KCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-03-01 US disclosed
EP-1757579-A1 Primary 2,6-disubstituted para-phenylenediamines and their uses for dyeing keratin fibres L'Oréal (FR) 2007-02-28 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 (1 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-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers KRT18, DSP, CDC73 HRH3 1245/4885SIGMAR1 3538/4885KCNH2 437/4885

“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.