SCHEMBL8204699

SCHEMBL8204699

CCC1CCc2ccccc2N1Cc1cnc[nH]1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.57
CYP2C9 P11712 1/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
MTNR1A P48039 4/20 0.43

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 0.85 TAAR1 (0.60) TAAR1CYP2C9FNTAFNTB
SCHEMBL8203891 0.78 TAAR1 (0.54) TAAR1CYP2C9FNTAFNTB
SCHEMBL1735281 0.77 MTNR1A (0.42) TAAR1FNTAFNTBMTNR1A
SCHEMBL1735283 0.77 MTNR1A (0.42) TAAR1FNTAFNTBMTNR1A
SCHEMBL10264612 0.76 MTNR1A (0.50) MTNR1A
SCHEMBL3528943 0.75 MTNR1A (0.43) MTNR1A
SCHEMBL3528940 0.75 MTNR1A (0.43) MTNR1A
SCHEMBL3528944 0.75 MTNR1A (0.43) MTNR1A
SCHEMBL508524 0.73 TAAR1 (1.00) TAAR1FNTAFNTB
SCHEMBL11795278 0.72 MTNR1A (0.55) MTNR1A

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 1/4885CYP2C9 989/4885FNTA 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.