SCHEMBL3523908

SCHEMBL3523908

CCCCc1ncc(CN2CCc3ccccc32)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.53
TRPM5 Q9NZQ8 1/20 0.47
FNTA P49354 2/20 0.46
FNTB P49356 2/20 0.46
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
USP2 O75604 1/20 0.43
CDK4 P11802 1/20 0.43
ALOX15 P16050 1/20 0.43
CCND1 P24385 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
PTK2B Q14289 1/20 0.40
ESR2 Q92731 1/20 0.40

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 0.93 TAAR1 (0.55) TAAR1TRPM5FNTAFNTBALDH1A1
SCHEMBL7744107 0.75 TAAR1 (0.47) TAAR1TRPM5FNTAFNTBALDH1A1
Hydrochloric Acid SCHEMBL7746024 0.74 TAAR1 (0.46) TAAR1TRPM5FNTAFNTBALDH1A1
SCHEMBL8214872 0.73 TAAR1 (0.61) TAAR1TRPM5ALDH1A1MEN1KMT2A
SCHEMBL3642723 0.71 ALDH1A1 (0.72) TAAR1TRPM5ALDH1A1MEN1KMT2A
SCHEMBL508524 0.70 TAAR1 (1.00) TAAR1TRPM5FNTAFNTBALDH1A1
SCHEMBL29531557 0.70 ALDH1A1 (0.70) TAAR1TRPM5ALDH1A1MEN1KMT2A
SCHEMBL6698921 0.70 ALDH1A1 (0.70) TAAR1TRPM5ALDH1A1MEN1KMT2A
SCHEMBL25229724 0.68 ALDH1A1 (0.68) TRPM5ALDH1A1MEN1KMT2AUSP2
SCHEMBL19746738 0.68 ALDH1A1 (0.68) TRPM5ALDH1A1MEN1KMT2AUSP2

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 9 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
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
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
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 1/4885TRPM5 554/4885FNTA 3660/4885

“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.