SCHEMBL3529313

SCHEMBL3529313

Clc1ccc2c(c1)CCN2Cc1c[nH]cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.49
HDAC1 Q13547 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
ROCK1 Q13464 1/20 0.40
TRPM5 Q9NZQ8 1/20 0.39
NOTUM Q6P988 1/20 0.39
KDM4A O75164 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36

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
SCHEMBL3530913 0.90 HTR2A (0.48) TRPV1HDAC1HDAC6TRPM5NOTUM
SCHEMBL3529035 0.84 HDAC1 (0.40) TRPV1HDAC1HDAC6HDAC8ROCK1
SCHEMBL3528625 0.84 TRPV1 (0.42) TRPV1HDAC1HDAC6ROCK1NOTUM
SCHEMBL3530367 0.84 NOTUM (0.40) TRPV1TRPM5NOTUMTAAR1CDK4
SCHEMBL13229480 0.83 TRPV1 (0.41) TRPV1HDAC1HDAC6TRPM5HTR2C
SCHEMBL2403758 0.82 TRPV1 (0.34) TRPV1HTR2CHTR2BHTR2ASRD5A1
SCHEMBL3527624 0.81 MTNR1A (0.43) HDAC1HDAC6NOTUMHTR2CHTR2B
SCHEMBL30206854 0.81 ALDH1A1 (0.56) TRPV1TRPM5TAAR1CDK4CCND1
SCHEMBL13229479 0.80 CDK9 (0.38) TRPV1HDAC1HDAC6TRPM5HTR2C
SCHEMBL3527250 0.78 HTR2A (0.36) TRPV1HDAC1HDAC6TRPM5HTR2C

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-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US claimed
US-7858652-B2 Substituted 4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
EP-2084152-A2 SUBSTITUTED 4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-08-05 EP 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 TRPV1 487/4885HDAC1 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.