SCHEMBL3530367

SCHEMBL3530367

Cc1ccc2c(c1)CCN2Cc1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.40
ALDH1A1 P00352 3/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TRPM5 Q9NZQ8 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CDK4 P11802 3/20 0.35
CCND1 P24385 3/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
SRD5A1 P18405 2/20 0.34
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPY5R Q15761 1/20 0.33
MEN1 O00255 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
SCHEMBL3526848 0.90 HDAC1 (0.40) ALDH1A1TRPV1TRPM5TAAR1CDK4
SCHEMBL3529313 0.84 TRPV1 (0.49) NOTUMALDH1A1TRPV1TRPM5TAAR1
SCHEMBL3528625 0.84 TRPV1 (0.42) NOTUMTRPV1TAAR1
SCHEMBL3529035 0.84 HDAC1 (0.40) ALDH1A1TRPV1MTNR1AMTNR1BTRPM5
SCHEMBL3527624 0.84 MTNR1A (0.43) NOTUMALDH1A1MTNR1AMTNR1BDRD2
SCHEMBL13229397 0.83 CDK9 (0.40) NOTUMTRPM5TAAR1
SCHEMBL30206854 0.81 ALDH1A1 (0.56) ALDH1A1TRPV1TRPM5TAAR1CDK4
SCHEMBL13229395 0.80 SLC22A12 (0.39) TRPV1TRPM5TAAR1
SCHEMBL3527250 0.78 HTR2A (0.36) TRPV1TRPM5TAAR1
SCHEMBL3531066 0.77 HDAC1 (0.46) ALDH1A1TAAR1KDM4ENPSR1MEN1

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 NOTUM 4398/4885ALDH1A1 701/4885CHRM2 70/4885

“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.