SCHEMBL12543751

SCHEMBL12543751

COCCn1ccc2c(F)cccc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.55
HTR2A P28223 1/20 0.55
P2RX7 Q99572 2/20 0.45
TP53 P04637 1/20 0.43
CNR2 P34972 3/20 0.43
CNR1 P21554 3/20 0.43
GRIN2B Q13224 1/20 0.42
RHEB Q15382 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
PRMT5 O14744 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 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
SCHEMBL12543380 0.82 HTR2C (0.54) HTR2CHTR2AP2RX7CNR2CNR1
SCHEMBL17867534 0.81 HTR2C (0.59) HTR2CHTR2AP2RX7CNR2CNR1
SCHEMBL12542746 0.81 NOTUM (0.44) HTR2CP2RX7CNR2CNR1NPSR1
SCHEMBL12543673 0.81 HTR2C (0.60) HTR2CCNR2CNR1NPSR1PRMT5
SCHEMBL14909548 0.81 HTR2C (0.42) HTR2CHTR2ACNR2CNR1NPSR1
SCHEMBL30672847 0.81 HTR2C (0.42) HTR2CHTR2ACNR2CNR1NPSR1
SCHEMBL12543864 0.81 HTR2C (0.41) HTR2CHTR2ACNR2CNR1NPSR1
SCHEMBL6869919 0.81 GRIN2B (0.45) HTR2CHTR2AP2RX7TP53CNR2
SCHEMBL2038502 0.81 HTR2C (0.63) HTR2CTP53CNR2CNR1NPSR1
SCHEMBL12543481 0.80 P2RX7 (0.45) HTR2CP2RX7CNR2CNR1NPSR1

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
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 HTR2C 52/4885HTR2A 32/4885P2RX7 250/4885

“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.