SCHEMBL3313076

SCHEMBL3313076

c1ccc2c(c1)OCC2NC1CNC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
KDM1A O60341 2/20 0.40
MAOA P21397 2/20 0.40
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
HTR2A P28223 2/20 0.35
P2RX7 Q99572 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
MAPK1 P28482 1/20 0.34
HTR2B P41595 2/20 0.33
MAOB P27338 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33

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
SCHEMBL3315802 0.72 HTR2B (0.41) LTB4RLTB4R2DRD2DRD3HTR2B
SCHEMBL24915634 0.72 LTB4R (0.45) MAOALTB4RLTB4R2HTR2AP2RX7
SCHEMBL506553 0.72 PDPK1 (0.46) LTB4RLTB4R2HTR2ACYP2D6SLC6A2
SCHEMBL12649085 0.71 DRD2 (0.45) SSTR4CHRNB4CHRNA3LTB4RLTB4R2
Hydrochloric Acid SCHEMBL30799506 0.71 PDPK1 (0.44) HTR2ACYP2D6SLC6A2SLC6A4
SCHEMBL7847793 0.70 DRD2 (0.48) SSTR4CHRNB4CHRNA3LTB4RLTB4R2
SCHEMBL6245152 0.70 DRD2 (0.48) SSTR4CHRNB4CHRNA3LTB4RLTB4R2
SCHEMBL7846711 0.70 DRD2 (0.48) SSTR4CHRNB4CHRNA3LTB4RLTB4R2
SCHEMBL29960480 0.70 DRD2 (0.48) SSTR4CHRNB4CHRNA3LTB4RLTB4R2
SCHEMBL7846708 0.70 DRD2 (0.48) SSTR4CHRNB4CHRNA3LTB4RLTB4R2

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 SSTR4 639/4885CHRNB4 47/4885CHRNA3 6/4885

“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.