SCHEMBL8203976

SCHEMBL8203976

Cc1cccc2c1CCN2Cc1cnc[nH]1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.64
FNTA P49354 8/20 0.43
FNTB P49356 8/20 0.43
ADRA2C P18825 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
NOTUM Q6P988 1/20 0.40
CYP19A1 P11511 1/20 0.39

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
SCHEMBL8209031 0.85 TAAR1 (0.61) TAAR1FNTAFNTBNOTUM
SCHEMBL8203453 0.84 TAAR1 (0.64) TAAR1FNTAFNTBADRA1ANOTUM
SCHEMBL8205622 0.80 TAAR1 (0.62) TAAR1FNTAFNTBNOTUM
SCHEMBL12993146 0.79 TAAR1 (0.64) TAAR1FNTAFNTBADRA2CCYP19A1
SCHEMBL508524 0.78 TAAR1 (1.00) TAAR1FNTAFNTBADRA1A
SCHEMBL8203733 0.77 TAAR1 (0.59) TAAR1FNTAFNTBADRA1AADRA1D
SCHEMBL1734439 0.75 TAAR1 (0.49) TAAR1FNTAFNTBNOTUM
SCHEMBL3524521 0.74 NOTUM (0.40) TAAR1NOTUM
SCHEMBL12993245 0.74 TAAR1 (0.67) TAAR1FNTAFNTBNOTUM
SCHEMBL12993227 0.74 TAAR1 (0.67) TAAR1FNTAFNTBCYP19A1

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 1/4885FNTA 3660/4885FNTB 3538/4885

“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.