SCHEMBL3317066

SCHEMBL3317066

CC(c1ccc(Oc2ccccc2)cc1)N(C)C1CN(C(=O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPY5R Q15761 11/20 0.42
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
MGLL Q99685 1/20 0.41
NPY2R P49146 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
SRD5A2 P31213 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL3320631 0.82 CCR5 (0.43)
SCHEMBL3316820 0.81 CHRM1 (0.40)
SCHEMBL3315251 0.77 ACACB (0.52) MEN1KMT2AACACBACACASRD5A2
SCHEMBL3317389 0.76 KIF11 (0.38) MEN1KMT2A
SCHEMBL3317456 0.75 MCHR1 (0.39)
SCHEMBL4714260 0.74 MEN1 (0.43) MEN1KMT2AMMP1MMP2MMP3
SCHEMBL9092953 0.70 NPY5R (0.47) NPY5RACACBACACANPY2R
SCHEMBL9234378 0.70 NPY5R (0.47) NPY5RACACBACACANPY2R
SCHEMBL27823569 0.70 ALOX5 (0.50) NPY5RACACBACACANPY2RSRD5A2
SCHEMBL8695118 0.69 NPY5R (0.46) NPY5RACACBACACANPY2RSRD5A2

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 MEN1 2995/4885KMT2A 3099/4885NPY5R 178/4885

“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.