SCHEMBL12993129

SCHEMBL12993129

Cc1ncc(CN2CCc3cc(Cl)ccc32)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.45
TRPM5 Q9NZQ8 1/20 0.40
NOTUM Q6P988 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
KCNH2 Q12809 1/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
ROCK1 Q13464 1/20 0.38
HRH1 P35367 1/20 0.38
HRH4 Q9H3N8 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
SCHEMBL12992893 0.85 MTNR1A (0.41) TRPM5TAAR1HDAC1HDAC6HDAC8
SCHEMBL12993043 0.77 TAAR1 (0.67) TRPV1NOTUMTAAR1HDAC1HDAC6
SCHEMBL12993130 0.76 ALDH1A1 (0.44) KCNH2ROCK1HRH1HRH4SRD5A1
SCHEMBL3529086 0.75 TRPV1 (0.50) TRPV1TRPM5NOTUMTAAR1HDAC1
SCHEMBL8204549 0.75 XIAP (0.38) TRPV1NOTUMTAAR1ROCK1HRH1
SCHEMBL8214872 0.74 TAAR1 (0.61) TRPM5TAAR1HDAC1HDAC6HDAC3
SCHEMBL1735400 0.72 TRPV1 (0.47) TRPV1TRPM5NOTUMTAAR1KCNH2
SCHEMBL3529313 0.72 TRPV1 (0.49) TRPV1TRPM5NOTUMTAAR1HDAC1
SCHEMBL12656578 0.69 NOTUM (0.50) TRPV1NOTUMHDAC1HDAC6HDAC8
SCHEMBL24411824 0.69 ROCK1 (0.51) TRPV1HDAC1HDAC6ROCK1

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 4 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

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 TRPV1 487/4885TRPM5 554/4885NOTUM 4398/4885

“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.