SCHEMBL14201541

SCHEMBL14201541

CC(C)N(Cc1ncc[nH]1)c1cccc(Oc2ccc(O)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.61
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CETP P11597 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3162240 0.91 TAAR1 (0.72) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL3164695 0.89 TAAR1 (0.71) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL3165359 0.89 TAAR1 (0.64) TAAR1
SCHEMBL3170422 0.86 TAAR1 (0.63) TAAR1LMNA
SCHEMBL29921119 0.86 TAAR1 (0.63) TAAR1LMNA
SCHEMBL3170687 0.84 TAAR1 (0.70) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL3166144 0.84 TAAR1 (0.73) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL8212046 0.83 TAAR1 (0.78) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL3170767 0.81 TAAR1 (0.67) TAAR1CYP2D6TSHRLMNAGLA
SCHEMBL3171852 0.80 TAAR1 (0.64) TAAR1CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096906-A1 AMINOMETHYL-2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-04-24 US disclosed
US-20080096906-A1 AMINOMETHYL-2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-04-24 US 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-20080096906-A1 AMINOMETHYL-2-IMIDAZOLES HTR2C, AHR, HAX1 TAAR1 60/4885CYP2D6 150/4885TSHR 602/4885

“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.