SCHEMBL19848034

SCHEMBL19848034

C=C(c1cc2c(cc1F)OCC(=O)N2)N1CC(COc2ccccc2Cl)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.52
▸ TP53 P04637 2/20 0.44
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ THRB P10828 2/20 0.41
▸ TRPV1 Q8NER1 2/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ HTR1A P08908 2/20 0.39
▸ HTR1D P28221 2/20 0.39
▸ HTR1B P28222 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ NR3C2 P08235 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL19847847 0.92 MGLL (0.62) MGLLTP53PKMNR3C2
SCHEMBL19848040 0.90 MGLL (0.45) MGLLTP53LMNAMAPTTHRB
SCHEMBL19833711 0.90 MGLL (0.57) MGLLTP53LMNAMAPTTHRB
SCHEMBL19847964 0.89 MGLL (0.44) MGLLTP53LMNAMAPTTHRB
SCHEMBL19847854 0.88 MGLL (0.45) MGLLTP53TRPV1HTR1AHTR1D
SCHEMBL19847926 0.88 CPT1A (0.43) MGLLTP53LMNAMAPTTHRB
SCHEMBL22386233 0.84 HTR1A (0.40) MGLLTP53LMNAMAPTTHRB
SCHEMBL19833787 0.84 MGLL (0.53) MGLLTP53TRPV1CASP3SENP7
SCHEMBL19833704 0.84 MGLL (0.53) MGLLTP53TRPV1CASP3SENP7
SCHEMBL19833877 0.83 MGLL (0.59) MGLLNR3C2

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
EP-3279191-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-07 — — EP disclosed
US-20150376665-A1 PROCESS FOR PREPARING AN ENANTIOMERICALLY ENRICHED, DEUTERATED SECONDARY ALCOHOL FROM A CORRESPONDING KETONE WITHOUT REDUCING DEUTERIUM INCORPORATION CONCERT PHARMACEUTICALS, INC. 2015-12-31 — — 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-20150376665-A1 PROCESS FOR PREPARING AN ENANTIOMERICALLY ENRICHED, DEUTERATED SECONDARY ALCOHOL FROM A CORRESPONDING KETONE WITHOUT REDUCING DEUTERIUM INCORPORATION ADH1A, ADH1C, ADH5 MGLL 1746/4885TP53 4750/4885LMNA 3227/4885

“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.

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