SCHEMBL8214872

SCHEMBL8214872

Cc1ncc(CN2CCCc3ccccc32)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.61
ALDH1A1 P00352 7/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
KDM4E B2RXH2 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 3/20 0.45
ALOX15 P16050 3/20 0.45
CASP1 P29466 2/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL3527109 0.82 TAAR1 (0.55) TAAR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL17938015 0.76 MAPK1 (0.43) KMT2AMAPK1L3MBTL1CHRM2CHRM1
SCHEMBL3527996 0.76 TAAR1 (1.00) TAAR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL12993129 0.74 TRPV1 (0.45) TAAR1TRPM5HDAC6HDAC3HDAC1
SCHEMBL8204147 0.74 CHRM2 (0.44) TAAR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL12992893 0.74 MTNR1A (0.41) TAAR1TRPM5HDAC6HDAC1
SCHEMBL3526463 0.74 TAAR1 (0.54) TAAR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL3523908 0.73 TAAR1 (0.53) TAAR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL31453137 0.73 TAAR1 (0.56) TAAR1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL3527502 0.72 TAAR1 (0.92) TAAR1ALDH1A1KMT2AMEN1KDM4E

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-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
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 TAAR1 1/4885ALDH1A1 701/4885KMT2A 995/4885

“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.