SCHEMBL8205622

SCHEMBL8205622

COc1cccc2c1CCCN2Cc1cnc[nH]1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.62
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
FNTA P49354 7/20 0.41
FNTB P49356 7/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PKM P14618 1/20 0.40
NOTUM Q6P988 1/20 0.40
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CYP11B2 P19099 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 0.93 TAAR1 (0.61) TAAR1HDAC1HDAC6FNTAFNTB
SCHEMBL8203733 0.90 TAAR1 (0.59) TAAR1HDAC1HDAC6FNTAFNTB
SCHEMBL12993166 0.85 TAAR1 (0.58) TAAR1FNTAFNTBHRH3
SCHEMBL8203976 0.80 TAAR1 (0.64) TAAR1FNTAFNTBNOTUM
SCHEMBL3527996 0.77 TAAR1 (1.00) TAAR1FNTAFNTB
SCHEMBL12993144 0.77 TAAR1 (0.60) TAAR1FNTAFNTBHTR2CHTR2B
SCHEMBL3524887 0.76 HDAC1 (0.49) HDAC1HDAC6HRH3NOTUMHTR2C
SCHEMBL3525869 0.75 TAAR1 (0.65) TAAR1HDAC1HDAC6FNTAFNTB
SCHEMBL3527567 0.75 TAAR1 (0.65) TAAR1HDAC1HDAC6FNTAFNTB
SCHEMBL8203453 0.75 TAAR1 (0.64) TAAR1FNTAFNTBHRH3NOTUM

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 1/4885HDAC1 1588/4885HDAC6 2140/4885

“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.