SCHEMBL2053220

SCHEMBL2053220

COCCn1cc(C(=O)N2CCC(c3cc(CNC(=O)C(F)(F)F)ccc3F)CC2)c2c(NC(=O)C3CCN(C)CC3)cccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 4/20 0.45
ALDH1A1 P00352 5/20 0.38
GAA P10253 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GLA P06280 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX7 Q99572 5/20 0.38
PARP1 P09874 2/20 0.37
HDAC1 Q13547 1/20 0.37
IL1B P01584 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
HRH2 P25021 2/20 0.36
PARP2 Q9UGN5 1/20 0.35

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
SCHEMBL12643101 0.94 TPSAB1 (0.45) TPSAB1ALDH1A1GAAKDM4EGLA
SCHEMBL2051522 0.93 TPSAB1 (0.44) TPSAB1ALDH1A1GAAKDM4EGLA
SCHEMBL2033728 0.91 TPSAB1 (0.48) TPSAB1ALDH1A1GAAKDM4EGLA
SCHEMBL2038895 0.90 TPSAB1 (0.49) TPSAB1ALDH1A1GAAKDM4EGLA
SCHEMBL2052502 0.90 TPSAB1 (0.46) TPSAB1ALDH1A1GAAKDM4EGLA
SCHEMBL12642982 0.89 TPSAB1 (0.50) TPSAB1ALDH1A1GAAKDM4EGLA
Hydrochloric Acid SCHEMBL2053706 0.89 TPSAB1 (0.49) TPSAB1ALDH1A1GAAKDM4EGLA
SCHEMBL2036157 0.89 TPSAB1 (0.51) TPSAB1ALDH1A1GAAKDM4EGLA
SCHEMBL2053489 0.88 TPSAB1 (0.45) TPSAB1ALDH1A1GAAKDM4EGLA
SCHEMBL2038916 0.88 P2RX7 (0.50) TPSAB1P2RX7IL1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TPSAB1 1/4885ALDH1A1 752/4885GAA 277/4885

“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.