SCHEMBL2816141

SCHEMBL2816141

O=C(O)c1cc2c(cc1F)OCCC2NC(=O)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
HSD17B2 P37059 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TAS1R3 Q7RTX0 5/20 0.41
TAS1R1 Q7RTX1 5/20 0.41
TAS1R2 Q8TE23 5/20 0.41
KDM6B O15054 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
P2RX7 Q99572 1/20 0.40
BRD4 O60885 2/20 0.39
CREBBP Q92793 2/20 0.39
SPTLC2 O15270 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
SCHEMBL2816139 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B2MAPTTHRBMEN1
SCHEMBL15235419 0.89 ALDH1A1 (0.45) ALDH1A1HSD17B2MAPTTHRBMEN1
SCHEMBL2819081 0.87 HSD17B2 (0.46) ALDH1A1HSD17B2MAPTTHRBMEN1
SCHEMBL2819085 0.87 HSD17B2 (0.46) ALDH1A1HSD17B2MAPTTHRBMEN1
SCHEMBL13190099 0.85 HSD17B2 (0.45) ALDH1A1HSD17B2MAPTTHRBMEN1
SCHEMBL784602 0.84 ALDH1A1 (0.50) ALDH1A1HSD17B2MAPTTHRBTAS1R3
SCHEMBL784603 0.84 ALDH1A1 (0.50) ALDH1A1HSD17B2MAPTTHRBTAS1R3
SCHEMBL484844 0.83 ALDH1A1 (0.49) ALDH1A1MAPTTHRBTAS1R3TAS1R1
SCHEMBL784976 0.83 ALDH1A1 (0.49) ALDH1A1MAPTTHRBTAS1R3TAS1R1
SCHEMBL484460 0.82 ALDH1A1 (0.57) ALDH1A1TAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 (2 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885HSD17B2 2886/4885MAPT 4634/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885HSD17B2 2886/4885MAPT 4634/4885

“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.