SCHEMBL2033985

SCHEMBL2033985

COCCn1cc(C(=O)C(F)(F)F)c2c([N+](=O)[O-])cccc21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.47
P2RX7 Q99572 15/20 0.46
IL1B P01584 9/20 0.44
CNR1 P21554 2/20 0.42
IDO1 P14902 1/20 0.41

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
SCHEMBL2034006 0.86 CNR2 (0.50) CNR2P2RX7IL1BCNR1
SCHEMBL2041383 0.83 P2RX7 (0.54) CNR2P2RX7IL1BCNR1IDO1
SCHEMBL2037218 0.83 P2RX7 (0.49) CNR2P2RX7IL1BCNR1IDO1
SCHEMBL2036409 0.82 P2RX7 (0.61) CNR2P2RX7IL1BCNR1IDO1
SCHEMBL2034925 0.82 P2RX7 (0.48) CNR2P2RX7IL1BCNR1IDO1
SCHEMBL2035535 0.82 IDO1 (0.53) CNR2P2RX7IL1BCNR1IDO1
SCHEMBL2036958 0.82 P2RX7 (0.64) P2RX7IL1B
SCHEMBL2035609 0.81 P2RX7 (0.50) CNR2P2RX7IL1BCNR1
SCHEMBL2033832 0.80 P2RX7 (0.47) CNR2P2RX7IL1BCNR1IDO1
SCHEMBL2034933 0.79 IDO1 (0.48) CNR2P2RX7IL1BCNR1IDO1

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
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

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 CNR2 113/4885P2RX7 250/4885IL1B 2128/4885

“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.