SCHEMBL24347349

SCHEMBL24347349

CCCCNc1ccn(CCOC)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.38
HRH4 Q9H3N8 1/20 0.37
CREBBP Q92793 1/20 0.37
ACSS2 Q9NR19 1/20 0.37
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2B P18089 1/20 0.36
OPRD1 P41143 1/20 0.36
SCN5A Q14524 1/20 0.36
IGF1R P08069 11/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
HCAR3 P49019 1/20 0.35
TLR7 Q9NYK1 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
SCHEMBL22242340 0.91 ALDH1A1 (0.39) ACSS2IGF1R
SCHEMBL10336052 0.83 HCAR3 (0.40) TLR8HRH4HCAR3
SCHEMBL23665279 0.81 IGF1R (0.36) ACSS2IGF1R
SCHEMBL23666643 0.77 ALDH1A1 (0.47) TLR8HRH4CREBBPHCAR3
SCHEMBL10707962 0.74 NPC1 (0.36) TLR8
SCHEMBL26789477 0.74 CACNA1G (0.47) ACSS2
SCHEMBL17267064 0.73 HTT (0.47) ACSS2
SCHEMBL30818098 0.73 IGF1R (0.39) IGF1R
SCHEMBL15885943 0.72 ALDH1A1 (0.46) CYP3A4HCAR3
SCHEMBL17145797 0.70 MPO (0.35) ACSS2IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2022-04-21 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 (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-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 TLR8 1197/4885HRH4 219/4885CREBBP 697/4885

“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.