SCHEMBL2033726

SCHEMBL2033726

Cc1cccc2c(C(=O)O)cn(CCCN3CCOCC3)c12

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.59
CNR2 P34972 5/20 0.53
PCSK9 Q8NBP7 2/20 0.50
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HRH2 P25021 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1985624 0.94 CNR1 (0.65) CNR1CNR2PCSK9MEN1KMT2A
SCHEMBL2034570 0.89 CNR1 (0.60) CNR1CNR2PCSK9POLBMEN1
SCHEMBL2036342 0.84 CNR1 (0.53) CNR1CNR2HRH2
SCHEMBL2033905 0.81 CNR1 (0.61) CNR1CNR2PCSK9MEN1KMT2A
SCHEMBL12642933 0.81 CNR1 (0.48) CNR1CNR2PCSK9POLBSMN1; SMN2
SCHEMBL2038034 0.80 ALDH1A1 (0.46) CNR1CNR2MEN1KMT2AHRH2
SCHEMBL2037642 0.79 CNR2 (0.46) CNR1CNR2MEN1KMT2AHRH2
SCHEMBL2035737 0.78 ALDH1A1 (0.48) CNR1CNR2MEN1KMT2AHRH2
SCHEMBL2042192 0.77 ALDH1A1 (0.46) CNR1CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL2076715 0.76 CNR2 (0.72) CNR1CNR2

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 CNR1 160/4885CNR2 113/4885PCSK9 855/4885

“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.