SCHEMBL3431402

SCHEMBL3431402

NC(=O)CC1NCCc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
MAPT P10636 2/20 0.59
ALDH1A1 P00352 1/20 0.59
OPRM1 P35372 12/20 0.57
PRCP P42785 2/20 0.56
SLC22A1 O15245 1/20 0.56
MEN1 O00255 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
OPRD1 P41143 2/20 0.52
OPRK1 P41145 2/20 0.52

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
SCHEMBL8513805 0.86 SMN1; SMN2 (0.70) SMN1; SMN2MAPTALDH1A1OPRM1PRCP
SCHEMBL643311 0.86 SMN1; SMN2 (0.70) SMN1; SMN2MAPTALDH1A1OPRM1PRCP
SCHEMBL15421539 0.86 SMN1; SMN2 (0.70) SMN1; SMN2MAPTALDH1A1OPRM1PRCP
SCHEMBL12312033 0.86 SMN1; SMN2 (0.70) SMN1; SMN2MAPTALDH1A1OPRM1PRCP
SCHEMBL18586033 0.85 OPRM1 (0.54) SMN1; SMN2MAPTALDH1A1OPRM1PRCP
SCHEMBL18586549 0.85 OPRM1 (0.54) SMN1; SMN2MAPTALDH1A1OPRM1PRCP
SCHEMBL14591478 0.84 SMN1; SMN2 (0.64) SMN1; SMN2MAPTALDH1A1OPRM1PRCP
Hydrochloric Acid SCHEMBL8470875 0.84 SMN1; SMN2 (0.68) SMN1; SMN2MAPTALDH1A1OPRM1PRCP
SCHEMBL11610319 0.84 HSD17B10 (0.50) SMN1; SMN2MAPTALDH1A1OPRM1PRCP
SCHEMBL10775754 0.82 OPRM1 (0.65) SMN1; SMN2MAPTALDH1A1OPRM1PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP claimed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 WO claimed
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 WO disclosed
CN-100432056-C Tetrahydroisoquinolinylacetamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2008-11-12 CN disclosed
US-20060178515-A1 Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists ACTELION PHARMACEUTICALS, LTD. (CH) 2006-08-10 US disclosed
CN-1764647-A Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2006-04-26 CN 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-20060178515-A1 Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists HCRTR2, HCRTR1, OXTR SMN1; SMN2 4271/4885MAPT 2015/4885ALDH1A1 1059/4885

“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.