SCHEMBL3530642

SCHEMBL3530642

Clc1cccc2c1N(Cc1c[nH]cn1)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
CYP2D6 P10635 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
TRPM5 Q9NZQ8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TRPV1 Q8NER1 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CDK4 P11802 1/20 0.33
ALOX15 P16050 1/20 0.33
CCND1 P24385 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3529850 0.85 HTR2B (0.39) ADRA2AHTR2CHTR2BTRPM5MEN1
SCHEMBL3526354 0.82 PTGER4 (0.37) TRPM5PTGER4PTGER2DDB1CRBN
SCHEMBL3526525 0.81 DRD2 (0.41) ADRA2AADRA2BADRA2CHTR2CHTR2B
SCHEMBL3529275 0.79 NOTUM (0.39) NOTUMADRA2AADRA2BADRA2CCYP2D6
SCHEMBL30206854 0.78 ALDH1A1 (0.56) TRPM5TRPV1MEN1USP2ALDH1A1
SCHEMBL4970834 0.74 ALDH1A1 (0.47) ADRA2AADRA2BADRA2CCYP2D6ADRA1D
SCHEMBL13229475 0.74 CDK9 (0.41) CYP2D6TRPM5TRPV1USP2ALDH1A1
SCHEMBL3530913 0.74 HTR2A (0.48) NOTUMADRA2AADRA2BADRA2CCYP2D6
SCHEMBL3529313 0.74 TRPV1 (0.49) NOTUMHTR2CHTR2BTRPM5TRPV1
SCHEMBL1735350 0.74 TAAR1 (0.48) NOTUMADRA2AADRA2BADRA2CCYP2D6

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
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 NOTUM 4398/4885ADRA2A 86/4885ADRA2B 141/4885

“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.