SCHEMBL4627586

SCHEMBL4627586

NC(=NC(=O)c1ccc(Cl)cc1)N1CCCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.67
AVPR2 P30518 2/20 0.62
AVPR1A P37288 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
HPGD P15428 1/20 0.58
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
PDE4B Q07343 1/20 0.50
PDE4D Q08499 1/20 0.50
NOTUM Q6P988 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL4628733 0.93 SCN2A (0.77) SCN2AAVPR2AVPR1ASMN1; SMN2KMT2A
SCHEMBL4628474 0.88 SCN2A (0.86) SCN2AAVPR2AVPR1ASMN1; SMN2KMT2A
SCHEMBL4627492 0.87 SCN2A (0.60) SCN2AAVPR2AVPR1ASMN1; SMN2KMT2A
SCHEMBL4628490 0.80 POLB (0.69) SCN2AAVPR2AVPR1ASMN1; SMN2KMT2A
SCHEMBL4629262 0.80 SCN2A (1.00) SCN2ASMN1; SMN2KMT2AMEN1HPGD
SCHEMBL4628750 0.80 SCN2A (0.69) SCN2ASMN1; SMN2KMT2AMEN1HPGD
SCHEMBL4628693 0.80 ALDH1A1 (0.58) SCN2ASMN1; SMN2KMT2AMEN1HPGD
SCHEMBL4629002 0.77 TSHR (0.67) SCN2ASMN1; SMN2KMT2AMEN1HPGD
SCHEMBL4629264 0.76 SCN2A (0.58) SCN2AAVPR1ASMN1; SMN2KMT2ANOTUM
SCHEMBL4658155 0.75 SCN2A (0.62) SCN2ASMN1; SMN2KMT2AMEN1HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US disclosed
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA SCN2A 1613/4885AVPR2 1711/4885AVPR1A 2405/4885

“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.