SCHEMBL3316680

SCHEMBL3316680

CC(NC1CNC1)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.40
HSD11B1 P28845 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
SOS1 Q07889 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SSTR4 P31391 1/20 0.37
IDH1 O75874 2/20 0.36
HTR2C P28335 2/20 0.36
P2RX7 Q99572 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
CASR P41180 2/20 0.36

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
SCHEMBL3317547 0.76 HTR6 (0.45) CNR1HSD11B1SLC6A2SLC6A4SSTR4
SCHEMBL3317794 0.76 CNR1 (0.46) CNR1SSTR4CASR
SCHEMBL2439245 0.74 SSTR4 (0.58) SSTR4CASR
SCHEMBL15247598 0.73 P2RX7 (0.49) CNR1HSD11B1IDH1P2RX7
SCHEMBL12810174 0.73 P2RX7 (0.44) CNR1HSD11B1SLC6A4P2RX7HTR2A
SCHEMBL2401012 0.73 P2RX7 (0.44) CNR1HSD11B1SLC6A4P2RX7HTR2A
Hydrochloric Acid SCHEMBL2437871 0.73 SSTR4 (0.56) SSTR4CASR
SCHEMBL4956360 0.72 GAA (0.65) SLC6A2SLC6A4HTR2BCASR
Hydrochloric Acid SCHEMBL5718670 0.70 ACP3 (0.42) CNR1HSD11B1P2RX7
SCHEMBL7719646 0.69 TDP1 (0.45) SOS1IDH1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R&D) LIMITED (GB) 2010-04-29 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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS CNR1, OPRL1, CHRNA10 CNR1 1/4885HSD11B1 823/4885CHRNB2 45/4885

“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.