SCHEMBL3320952

SCHEMBL3320952

O=C(O)N1CC(NC2CCCc3ccccc32)C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
EPHX1 P07099 1/20 0.53
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.50
CYP1A2 P05177 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
TAS1R2 Q8TE23 2/20 0.48
LMNA P02545 1/20 0.48
CYP2D6 P10635 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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 0.92 MAOA (0.49) HTTKMT2AMEN1EPHX1ALDH1A1
SCHEMBL22139619 0.76 EPHX1 (0.64) HTTKMT2AMEN1EPHX1ALDH1A1
SCHEMBL9011724 0.75 HTT (0.75) HTTKMT2AMEN1EPHX1ALDH1A1
SCHEMBL3316036 0.75 CCR2 (0.42)
SCHEMBL3812451 0.74 HTT (0.54) HTTKMT2AMEN1EPHX1ALDH1A1
SCHEMBL15131188 0.74 PDPK1 (0.61) HTTKMT2AMEN1EPHX1ALDH1A1
SCHEMBL2115700 0.74 HTT (0.63) HTTKMT2AMEN1EPHX1ALDH1A1
SCHEMBL3316700 0.74 EPHX1 (0.50) HTTKMT2AMEN1EPHX1ALDH1A1
SCHEMBL3314536 0.74 CCR2 (0.45)
SCHEMBL3316511 0.74 CCR2 (0.45)

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 HTT 2072/4885KMT2A 3099/4885MEN1 2995/4885

“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.