SCHEMBL21725530

SCHEMBL21725530

CCCCC(CCCC)c1c(O)ncnc1OC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL21725527 0.89 NPC1 (0.37) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL23717786 0.82 CYP1A2 (0.35) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL21859720 0.79 ALDH1A1 (0.33) HSD17B10
SCHEMBL21725528 0.74 PDPK1 (0.35)
SCHEMBL22400168 0.69 PDPK1 (0.34) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL23717803 0.64 PDPK1 (0.38) NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL24552572 0.63 PDPK1 (0.37) NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL19578800 0.61 PPARA (0.41)
SCHEMBL20738344 0.61 IDO1 (0.39) NPC1RAB9A
SCHEMBL2466445 0.61 MEN1 (0.42)

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-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-02-18 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-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R NPC1 1729/4885CYP1A2 1383/4885CYP2C9 2713/4885

“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.