SCHEMBL3313029

SCHEMBL3313029

COc1ccc2c(c1)CCC2NC1CN(C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.46
MTNR1B P49286 2/20 0.44
MTNR1A P48039 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
PPARD Q03181 2/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SRD5A1 P18405 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ACHE P22303 2/20 0.42
SLC6A9 P48067 1/20 0.42

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
SCHEMBL3316036 0.83 CCR2 (0.42) CCR2CA1CA2ACHE
SCHEMBL3314536 0.81 CCR2 (0.45) CCR2TRPV1KDM1AMAOAMAOB
SCHEMBL3315505 0.81 CCR2 (0.46) CCR2TRPV1SRD5A1CA1CA2
SCHEMBL3316278 0.78 MAOA (0.49) CCR2KDM1AMAOAMAOBTAS1R3
SCHEMBL4710772 0.76 CA12 (0.64) MTNR1BMTNR1ATRPV1TAS1R3TAS1R1
SCHEMBL5510306 0.74 CCR2 (0.45) CCR2TRPV1KDM1AMAOAMAOB
SCHEMBL29112431 0.73 PDPK1 (0.54) TRPV1SRD5A1ACHE
SCHEMBL3313172 0.71 PARP10 (0.46) CCR2
SCHEMBL3320952 0.71 HTT (0.56) TAS1R3TAS1R1TAS1R2
SCHEMBL1844946 0.71 PPARD (0.52) MTNR1BMTNR1APPARDSRD5A1CA1

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 734/4885MTNR1B 98/4885MTNR1A 42/4885

“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.