SCHEMBL8203891

SCHEMBL8203891

CC1Cc2ccccc2N1Cc1cnc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.54
KMT2A Q03164 3/20 0.52
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
STAT3 P40763 1/20 0.42
ADRA1A P35348 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
SCHEMBL8207883 0.88 TAAR1 (0.60) TAAR1KMT2AFNTAFNTBCHRM2
SCHEMBL12993231 0.82 CYP17A1 (0.42) TAAR1ALDH1A1
SCHEMBL12993044 0.82 ALDH1A1 (0.43) TAAR1KMT2AFNTAFNTBMEN1
SCHEMBL8198371 0.80 CYP19A1 (0.47) TAAR1FNTAFNTB
SCHEMBL12993223 0.79 TAAR1 (0.41) TAAR1FNTAFNTBADRA1A
SCHEMBL8204699 0.78 TAAR1 (0.57) TAAR1FNTAFNTBCYP2C9
SCHEMBL8202717 0.78 HSD11B1 (0.47) TAAR1KMT2AFNTAFNTBMEN1
SCHEMBL8209043 0.77 KMT2A (0.45) KMT2AGAAMEN1ALDH1A1LMNA
SCHEMBL12993243 0.74 TAAR1 (0.46) TAAR1FNTAFNTBADRA1A
SCHEMBL8210141 0.74 ALDH1A1 (0.46) TAAR1KMT2AMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858652-B2 Substituted 4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-7858652-B2 Substituted 4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
WO-2008058867-A2 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 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 (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-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES TAAR1, TAAR5, TACR1 TAAR1 1/4885KMT2A 995/4885FNTA 3660/4885

“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.