SCHEMBL3057296

SCHEMBL3057296

CN(C(=O)c1ccc2c(c1)CCO2)C(CC(N)=O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
ACHE P22303 1/20 0.43
MAPK14 Q16539 6/20 0.43
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
LMNA P02545 1/20 0.42
PRKCI P41743 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 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
SCHEMBL3054628 0.92 TSHR (0.47) TSHRHPGDALDH1A1GAATRPM8
SCHEMBL3058304 0.92 TSHR (0.47) TSHRHPGDALDH1A1GAATRPM8
SCHEMBL3058328 0.89 TSHR (0.60) TSHRHPGDALDH1A1GAACTNNB1
SCHEMBL3058204 0.89 TSHR (0.60) TSHRHPGDALDH1A1GAACTNNB1
SCHEMBL3057298 0.89 TRPM8 (0.48) TSHRHPGDALDH1A1GAATRPM8
SCHEMBL3057846 0.85 HPGD (0.60) TSHRHPGDALDH1A1GAATAS1R3
SCHEMBL3040894 0.85 HPGD (0.60) TSHRHPGDALDH1A1GAATAS1R3
SCHEMBL3044972 0.85 HPGD (0.60) TSHRHPGDALDH1A1GAATAS1R3
SCHEMBL13139063 0.81 TAS1R3 (0.48) TSHRHPGDALDH1A1GAATRPM8
SCHEMBL3054633 0.80 TSHR (0.46) TSHRHPGDALDH1A1GAATRPM8

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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 US claimed
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 TSHR 3832/4885HPGD 756/4885ALDH1A1 15/4885

“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.