SCHEMBL633565

SCHEMBL633565

Cc1cc(N(Cc2c[nH]cn2)C(C)C)nc(/C=C/c2cccc(F)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.35
FLT3 P36888 2/20 0.35
NFE2L2 Q16236 7/20 0.34
TAAR1 Q96RJ0 1/20 0.34
TRPV3 Q8NET8 1/20 0.33
RELA Q04206 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM4 Q14833 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
HTR2A P28223 1/20 0.31

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
SCHEMBL633566 1.00 HRH4 (0.35) HRH4FLT3NFE2L2TAAR1TRPV3
SCHEMBL8212388 0.81 TAAR1 (0.57) TAAR1
SCHEMBL630672 0.68 NFE2L2 (0.53) HRH4FLT3NFE2L2RELAKDM4E
SCHEMBL632776 0.68 TAAR1 (0.36) TAAR1ALDH1A1
SCHEMBL630673 0.68 NFE2L2 (0.53) HRH4FLT3NFE2L2RELAKDM4E
SCHEMBL632742 0.67 MAPT (0.37) TAAR1KDM4ENPC1ALDH1A1HPGD
SCHEMBL5791786 0.66 NFE2L2 (0.53) HRH4FLT3NFE2L2RELAKDM4E
SCHEMBL5791782 0.66 NFE2L2 (0.53) HRH4FLT3NFE2L2RELAKDM4E
SCHEMBL632642 0.64 CRHR1 (0.41) TAAR1KDM4ENPC1ALDH1A1HPGD
SCHEMBL631916 0.64 TAAR1 (0.33) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 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 (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-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R HRH4 365/4885FLT3 1863/4885NFE2L2 946/4885

“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.