SCHEMBL2936341

SCHEMBL2936341

CCC(C)n1cnc(C)n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
ACHE P22303 3/20 0.33
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2631872 0.78
SCHEMBL29300443 0.78 ACHE (0.36) ADORA2AADORA2BADORA1ACHE
SCHEMBL29300453 0.78 ADORA2A (0.33) ADORA2AADORA2BADORA1ACHE
SCHEMBL24462185 0.74
SCHEMBL29300459 0.74
SCHEMBL15417662 0.71
SCHEMBL19861815 0.71 ACHE (0.38) ADORA2AADORA2BADORA1ACHEALDH1A1
SCHEMBL20306234 0.67 ESR1 (0.35)
SCHEMBL15158946 0.64 POLB (0.38) ACHESMN1; SMN2
SCHEMBL19121899 0.62 ACHE (0.51) ACHE

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
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
EP-3344600-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-02-24 EP disclosed
EP-3344599-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-12-09 EP disclosed
US-20100267596-A1 METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS BASE SE (DE) 2010-10-21 US disclosed
EP-2229365-A1 METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS BASF SE (DE) 2010-09-22 EP disclosed
WO-2009077452-A1 METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS BASF SE (DE) 2009-06-25 WO disclosed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 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-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS ADORA2A 3371/4885ADORA2B 4387/4885ADORA1 4756/4885
US-20100267596-A1 METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS LIPA, IDE, CEL ADORA2A 3412/4885ADORA2B 2701/4885ADORA1 2696/4885
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS ADORA2A 932/4885ADORA2B 875/4885ADORA1 1385/4885

“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.