SCHEMBL2037523

SCHEMBL2037523

COCCn1cc(C(=O)OC)c2cccc(OC(F)F)c21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CNR2 P34972 13/20 0.45
NR4A2 P43354 1/20 0.43
BRD4 O60885 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL2038751 0.90 ALDH1A1 (0.46) MAPTCNR2
SCHEMBL2033740 0.79 P2RX7 (0.48) LMNAMAPTPOLBNPSR1SMN1; SMN2
SCHEMBL12643105 0.74 CNR2 (0.44) LMNAMAPTPOLBNPSR1CNR2
SCHEMBL1986391 0.74 IDO1 (0.48) LMNACNR2
SCHEMBL1985481 0.74 ALDH1A1 (0.46) MAPTCNR2
SCHEMBL2035808 0.73 CNR1 (0.44) MAPTTSHRL3MBTL1CNR2GAA
SCHEMBL2036426 0.71 LMNA (0.54) LMNAMAPTPOLBNPSR1SMN1; SMN2
SCHEMBL2038601 0.71 NR4A2 (0.47) LMNAMAPTPOLBNPSR1SMN1; SMN2
SCHEMBL1983582 0.71 CNR2 (0.49) LMNAMAPTPOLBNPSR1CNR2
SCHEMBL2049874 0.71 LMNA (0.46) LMNAMAPTPOLBNPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516419-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-10-31 EP disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 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-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 LMNA 1975/4885MAPT 2406/4885POLB 3685/4885

“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.