SCHEMBL10133342

SCHEMBL10133342

O=CNCc1ccnc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.53
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
CYP1A2 P05177 1/20 0.44
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH7 P40394 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NCF1 P14598 1/20 0.43
FAAH O00519 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN11 Q06124 1/20 0.42
FERMT2 Q96AC1 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
SCHEMBL24185941 0.83 LOXL2 (0.53) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL1040581 0.77 LOXL2 (0.55) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL6155906 0.77 LOXL2 (0.55) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL2319949 0.77 LOXL2 (0.55) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL14650799 0.77 LOXL2 (0.58) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL3397178 0.77 LOXL2 (0.58) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL1253989 0.77 LOXL2 (0.58) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL5550374 0.77 LOXL2 (0.58) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL28879838 0.77 LOXL2 (0.63) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL28252734 0.76 CYP1A2 (0.56) LOXL2HTR1AADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2429993-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2015-01-21 EP disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LOXL2 1342/4885HTR1A 300/4885ADRA1D 219/4885

“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.