SCHEMBL829120

SCHEMBL829120

CC1CCC(c2ccc(F)c(F)c2)=Cc2cccnc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.34
TOP1 P11387 1/20 0.34
PDE10A Q9Y233 1/20 0.33
GLO1 Q04760 1/20 0.33
CYP11B2 P19099 2/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP3A4 P08684 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
P2RX7 Q99572 1/20 0.32
KLK7 P49862 1/20 0.32
ALOX5AP P20292 4/20 0.31
FEN1 P39748 3/20 0.31
CREBBP Q92793 1/20 0.31
MGLL Q99685 2/20 0.31
GRIN1 Q05586 1/20 0.31

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
SCHEMBL828723 0.86 P2RX7 (0.40) NPY5RTOP1P2RX7
SCHEMBL829198 0.83 ALOX5AP (0.32) NPY5RTOP1PDE10AALOX5APFEN1
SCHEMBL828718 0.82 CYP11B2 (0.43) PDE10ACYP11B2CYP19A1CYP11B1
SCHEMBL828722 0.81 IDH1 (0.38) CYP11B2CYP19A1P2RX7
SCHEMBL828703 0.77 CNR2 (0.34) CYP11B2CYP19A1CYP11B1P2RX7
SCHEMBL829082 0.68 IDH1 (0.36) P2RX7
SCHEMBL828908 0.68 P2RX7 (0.40) P2RX7
SCHEMBL828676 0.67 CYP11B1 (0.40) PDE10ACYP11B2CYP19A1CYP11B1P2RX7
SCHEMBL828714 0.67 CYP11B2 (0.35) CYP11B2CYP19A1CYP11B1ALDH1A1
SCHEMBL10297756 0.64 OPRL1 (0.37) GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143403-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-20120010402-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2012-01-12 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-20120010402-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR NPY5R 67/4885TOP1 2420/4885PDE10A 461/4885

“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.