SCHEMBL3313291

SCHEMBL3313291

CC1CC(NC2CN(C(=O)O)C2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.40
NOTUM Q6P988 1/20 0.37
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
TAS1R2 Q8TE23 2/20 0.34
RBP4 P02753 5/20 0.33
GRIN2B Q13224 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
F2R P25116 1/20 0.32

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
SCHEMBL3316278 0.74 MAOA (0.49) CCR2TAS1R3TAS1R1TAS1R2
SCHEMBL3315802 0.74 HTR2B (0.41)
SCHEMBL3320952 0.72 HTT (0.56) TAS1R3TAS1R1TAS1R2
SCHEMBL3315944 0.72 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2CYP3A4CYP2C19
SCHEMBL15578425 0.70 PTGDR2 (0.52) NOTUMPTGDR2TAS1R3TAS1R1TAS1R2
SCHEMBL3316638 0.69 GRM7 (0.43) GRIN2B
SCHEMBL13080425 0.67 SLC6A2 (0.53) CYP3A4CYP2C9CYP2C19
SCHEMBL16421280 0.67 SLC6A2 (0.53) CYP3A4CYP2C9CYP2C19
SCHEMBL13080424 0.67 SLC6A2 (0.53) CYP3A4CYP2C9CYP2C19
SCHEMBL18173263 0.65 KDM1A (0.66)

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 3 patents. 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
EP-1933830-A1 ANTAGONISTS OF SNS SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-06-25 EP disclosed
WO-2007007057-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 2007-01-18 WO 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 CCR2 734/4885NOTUM 4160/4885PLA2G1B 1358/4885

“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.