SCHEMBL3526071

SCHEMBL3526071

CC1CCc2ccccc2N1Cc1c[nH]cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 1/20 0.45
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
STAT3 P40763 1/20 0.37
KMT2A Q03164 1/20 0.37
MTNR1A P48039 6/20 0.37
GAA P10253 2/20 0.36
ESR1 P03372 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 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
SCHEMBL3526076 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3POLB
SCHEMBL3526073 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3POLB
SCHEMBL3524892 0.88 KMT2A (0.47) CHRM2CHRM4CHRM1CHRM3KDM4E
SCHEMBL3524896 0.88 KMT2A (0.47) CHRM2CHRM4CHRM1CHRM3KDM4E
SCHEMBL3524895 0.88 KMT2A (0.47) CHRM2CHRM4CHRM1CHRM3KDM4E
SCHEMBL3528940 0.85 MTNR1A (0.43) CHRM2CHRM4CHRM1CHRM3POLB
SCHEMBL3528943 0.85 MTNR1A (0.43) CHRM2CHRM4CHRM1CHRM3POLB
SCHEMBL3528944 0.85 MTNR1A (0.43) CHRM2CHRM4CHRM1CHRM3POLB
SCHEMBL2365390 0.84 MTNR1A (0.37) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL3528662 0.83 ALDH1A1 (0.46) POLBKDM4EMEN1ALDH1A1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084152-A2 SUBSTITUTED 4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-08-05 EP claimed
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US claimed
WO-2008058867-A2 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 WO 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 CHRM2 70/4885CHRM4 91/4885CHRM1 25/4885

“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.