SCHEMBL2040320

SCHEMBL2040320

Cc1cccc2ccn(CCO)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.48
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
CDK4 P11802 4/20 0.37
CCND1 P24385 4/20 0.37
HCRTR2 O43614 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
MAPK1 P28482 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
FTO Q9C0B1 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL2036887 0.85 P2RX7 (0.46) P2RX7ADRA2AADRA2BADRA2CCDK4
SCHEMBL12543028 0.81 P2RX7 (0.47) P2RX7ADRA2AADRA2BADRA2CCDK4
SCHEMBL27827799 0.81 P2RX7 (0.53) P2RX7ADRA2AADRA2BADRA2CCDK4
SCHEMBL16234638 0.80 P2RX7 (0.44) P2RX7ADRA2AADRA2BADRA2CHCRTR2
SCHEMBL11081014 0.79 ADRA2A (0.50) P2RX7ADRA2AADRA2BADRA2CCDK4
SCHEMBL24746655 0.79 HTR2C (0.58) P2RX7ADRA2AADRA2BADRA2CHEXA
SCHEMBL12543826 0.79 P2RX7 (0.52) P2RX7ADRA2AADRA2BADRA2CCDK4
SCHEMBL28841573 0.79 ADRA2A (0.47) P2RX7ADRA2AADRA2BADRA2CCDK4
SCHEMBL12543220 0.77 P2RX7 (0.56) P2RX7ADRA2AADRA2BADRA2C
SCHEMBL16234652 0.76 ADRA2A (0.45) P2RX7ADRA2AADRA2BADRA2CHCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102770425-A Indolyl-piperidinylbenzylamines as beta-tryptase inhibitors SANOFI SA 2012-11-07 CN disclosed
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 P2RX7 250/4885ADRA2A 103/4885ADRA2B 101/4885

“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.