SCHEMBL8203733

SCHEMBL8203733

CC(C)Oc1cccc2c1CCCN2Cc1cnc[nH]1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.59
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
FNTA P49354 5/20 0.40
FNTB P49356 5/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
UCHL1 P09936 1/20 0.38

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
SCHEMBL8205622 0.90 TAAR1 (0.62) TAAR1FNTAFNTBHDAC1HDAC6
SCHEMBL8209031 0.82 TAAR1 (0.61) TAAR1FNTAFNTBHDAC1HDAC6
SCHEMBL12993166 0.82 TAAR1 (0.58) TAAR1ADRA1DADRA1AADRA1BFNTA
SCHEMBL3526402 0.79 HRH3 (0.43) ADRA1DADRA1AADRA1BHDAC1HDAC6
SCHEMBL8203976 0.77 TAAR1 (0.64) TAAR1ADRA1DADRA1AADRA1BFNTA
SCHEMBL12993176 0.76 TAAR1 (0.62) TAAR1FNTAFNTBHDAC1HDAC6
SCHEMBL3527996 0.74 TAAR1 (1.00) TAAR1ADRA1AFNTAFNTB
SCHEMBL8203453 0.72 TAAR1 (0.64) TAAR1ADRA1AFNTAFNTBHRH3
SCHEMBL3527502 0.71 TAAR1 (0.92) TAAR1ADRA1AFNTAFNTBHDAC1
SCHEMBL508524 0.69 TAAR1 (1.00) TAAR1ADRA1AFNTAFNTB

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 1/4885ADRA1D 54/4885ADRA1A 41/4885

“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.