SCHEMBL2037435

SCHEMBL2037435

COC(=O)COc1ccc(CNC(=O)OC(C)(C)C)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.41
IGF1R P08069 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 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
SCHEMBL13842134 0.91 HDAC1 (0.47) L3MBTL1ALDH1A1MAPTIGF1RSMN1; SMN2
SCHEMBL2043513 0.88 CYP2D6 (0.43) CYP1A2CYP2D6CYP2C19L3MBTL1ALDH1A1
SCHEMBL6185932 0.86 ALDH1A1 (0.51) L3MBTL1ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL4670138 0.85 SMN1; SMN2 (0.46) L3MBTL1ALDH1A1HPGDIGF1RSMN1; SMN2
SCHEMBL4399030 0.82 LMNA (0.49) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27893577 0.82 L3MBTL1 (0.42) CYP1A2CYP2D6CYP2C19L3MBTL1ALDH1A1
SCHEMBL19553511 0.81 NAMPT (0.44) L3MBTL1ALDH1A1GAATSHR
SCHEMBL989199 0.81 KMT2A (0.48) CYP1A2CYP2D6CYP2C19ALDH1A1NPC1
SCHEMBL31292271 0.81 MTNR1A (0.43) L3MBTL1GAASMN1; SMN2TSHR
SCHEMBL5986274 0.81 HDAC1 (0.53) L3MBTL1ALDH1A1MAPTIGF1RLMNA

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 5 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
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 CYP1A2 553/4885CYP2D6 948/4885CYP2C19 346/4885

“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.