SCHEMBL18482107

SCHEMBL18482107

CCCC(C)(C)c1ncc(C)cn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.33
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL18531475 0.88 CNR2 (0.37) APLNR
SCHEMBL23583873 0.86 CNR2 (0.42)
SCHEMBL18516932 0.84 CNR2 (0.45)
SCHEMBL21133854 0.82 APLNR (0.35) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL21783863 0.81
SCHEMBL18481820 0.81 NPC1 (0.36)
SCHEMBL21398061 0.78 CNR1 (0.31)
SCHEMBL19227425 0.78 AGBL2 (0.33)
SCHEMBL19464707 0.78 ALDH1A1 (0.32)
SCHEMBL19261366 0.77 TLR8 (0.31)

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-9845310-B2 Intermediates for preparing triazole agonists of the APJ receptor AMGEN INC. (US) 2017-12-19 US disclosed
US-9624205-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-04-18 US disclosed
US-20170035744-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-09 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-20170035744-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 APLNR 4/4885CCR1 2168/4885CCR5 1098/4885

“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.