SCHEMBL5021335

SCHEMBL5021335

CC(C)(C)C1CCc2ncccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
MAPT P10636 3/20 0.43
MAPK1 P28482 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GRIN1 Q05586 4/20 0.42
GRIN2B Q13224 4/20 0.42
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
XBP1 P17861 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL5021331 1.00 DRD2 (0.51) DRD2DRD3MAPTMAPK1SMN1; SMN2
SCHEMBL5021334 1.00 DRD2 (0.51) DRD2DRD3MAPTMAPK1SMN1; SMN2
SCHEMBL5021344 0.87 GRIN1 (0.42) DRD2DRD3MAPTMAPK1SMN1; SMN2
SCHEMBL5021343 0.87 GRIN1 (0.42) DRD2DRD3MAPTMAPK1SMN1; SMN2
SCHEMBL5021341 0.87 GRIN1 (0.42) DRD2DRD3MAPTMAPK1SMN1; SMN2
SCHEMBL5021316 0.84 MAPT (0.42) DRD2DRD3MAPTMAPK1SMN1; SMN2
SCHEMBL5021315 0.84 MAPT (0.42) DRD2DRD3MAPTMAPK1SMN1; SMN2
SCHEMBL5021323 0.84 MAPT (0.42) DRD2DRD3MAPTMAPK1SMN1; SMN2
SCHEMBL23335551 0.84 GRIN1 (0.43) DRD2DRD3MAPTMAPK1SMN1; SMN2
SCHEMBL31197411 0.83 DRD2 (0.48) DRD2DRD3GRIN1GRIN2BHDAC1

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-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 US disclosed
US-20120041194-A1 NITROGEN AND SULFUR-CONTAINING HETROCYCLE DERIVATIVES TRIAD MULTITECH PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20110269953-A1 Nitrogen and Sulfur-Containing Heterocycle Derivatives ARMILLI MURTY N 2011-11-03 US 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 (3 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-20120041194-A1 NITROGEN AND SULFUR-CONTAINING HETROCYCLE DERIVATIVES HRH4, HNMT, TST DRD2 307/4885DRD3 393/4885MAPT 691/4885
US-20110269953-A1 Nitrogen and Sulfur-Containing Heterocycle Derivatives TST, HNMT, HRH4 DRD2 341/4885DRD3 445/4885MAPT 193/4885
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, CNR1, CNR2 DRD2 1446/4885DRD3 1592/4885MAPT 2111/4885

“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.