SCHEMBL10100736

SCHEMBL10100736

CC(C)(C)C1CNc2cnccc21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
SSTR4 P31391 1/20 0.30

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
SCHEMBL10066652 0.86 FDPS (0.32)
SCHEMBL21316477 0.76 EPHX2 (0.35)
SCHEMBL29332787 0.76 EPHX2 (0.35)
SCHEMBL8268782 0.76 ADORA3 (0.36) ADORA3ADORA2AADORA1
SCHEMBL8931361 0.76 EPHX2 (0.35)
SCHEMBL1615703 0.71 CDC7 (0.38) ADORA3ADORA2AADORA1
SCHEMBL2666096 0.71 CDC7 (0.38) ADORA3ADORA2AADORA1
SCHEMBL24866889 0.70 CHRNB2 (0.39)
SCHEMBL10100739 0.70 ADORA3 (0.38) ADORA3ADORA2AADORA1
SCHEMBL12573988 0.68 ADORA3 (0.37) ADORA3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 ADORA3 1655/4885ADORA2A 1410/4885ADORA1 1506/4885
US-20110269953-A1 Nitrogen and Sulfur-Containing Heterocycle Derivatives TST, HNMT, HRH4 ADORA3 1309/4885ADORA2A 1095/4885ADORA1 1120/4885

“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.