SCHEMBL3317620

SCHEMBL3317620

CC(NC1CNC1)c1ccc(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
P2RX7 Q99572 4/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MDM2 Q00987 2/20 0.36
SLC6A4 P31645 5/20 0.36
SLC6A2 P23975 2/20 0.36
SOS1 Q07889 1/20 0.36
SLC6A3 Q01959 1/20 0.36
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
HPGD P15428 1/20 0.35
HTR2A P28223 2/20 0.35
KCNH2 Q12809 2/20 0.35
RAB9A P51151 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL3320538 0.84 ADRB2 (0.36) ADRB2SLC6A4SLC6A2SOS1SLC6A3
SCHEMBL3317547 0.81 HTR6 (0.45) ADRB2CNR1CNR2SLC6A4SLC6A2
SCHEMBL3321099 0.77 DPP4 (0.46) P2RX7CNR1CNR2MDM2DPP4
SCHEMBL3314991 0.74 ADRB2 (0.54) ADRB2SLC6A4SLC6A2SLC6A3
SCHEMBL950733 0.74 RAB9A (0.46) P2RX7CNR1CNR2SLC6A4SLC6A2
SCHEMBL950732 0.74 RAB9A (0.46) P2RX7CNR1CNR2SLC6A4SLC6A2
SCHEMBL950734 0.74 RAB9A (0.46) P2RX7CNR1CNR2SLC6A4SLC6A2
SCHEMBL178502 0.74 HTR2A (0.54) P2RX7MDM2SLC6A4SOS1HTR2A
SCHEMBL17061753 0.71 LMNA (0.41) MDM2SLC6A4DPP4DPP7HPGD
SCHEMBL3313025 0.71 CHRNB2 (0.37) SLC6A4SLC6A2CHRNB2CHRNA4

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 ADRB2 43/4885P2RX7 323/4885CNR1 1/4885

“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.