SCHEMBL22488080

SCHEMBL22488080

CCCCC(C)(C)c1ncc(Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TLR8 Q9NR97 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
GLA P06280 1/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 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
SCHEMBL22663602 0.93 NPC1 (0.39) NPC1SMN1; SMN2RAB9AHSD17B10L3MBTL1
SCHEMBL18481820 0.88 NPC1 (0.36) NPC1SMN1; SMN2RAB9AHSD17B10
SCHEMBL18531475 0.82 CNR2 (0.37) TLR8
SCHEMBL20031029 0.81 NPC1 (0.39) NPC1SMN1; SMN2RAB9AHSD17B10TLR8
SCHEMBL21397925 0.81 LTB4R (0.32) L3MBTL1TSHR
SCHEMBL18522970 0.81 TLR8 (0.36) TLR8
SCHEMBL23583995 0.80 NPC1 (0.38) NPC1SMN1; SMN2RAB9AHSD17B10TLR8
SCHEMBL18523069 0.79 NPC1 (0.34) NPC1SMN1; SMN2RAB9AHSD17B10
SCHEMBL22930725 0.79 NPC1 (0.40) NPC1SMN1; SMN2RAB9AHSD17B10TLR8
SCHEMBL22930813 0.78 NPC1 (0.39) NPC1SMN1; SMN2RAB9AHSD17B10TLR8

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-11149040-B2 Fused triazole agonists of the APJ receptor AMGEN INC. (US) 2021-10-19 US disclosed
US-20200308189-A1 FUSED TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2020-10-01 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-20200308189-A1 FUSED TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AP3M1, GPBAR1 NPC1 1801/4885SMN1; SMN2 4259/4885RAB9A 893/4885
US-11149040-B2 Fused triazole agonists of the APJ receptor TBXA2R, AP3M1, GPBAR1 NPC1 1801/4885SMN1; SMN2 4259/4885RAB9A 893/4885

“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.