SCHEMBL21725527

SCHEMBL21725527

CCCCC(CCCC)c1c(OC)ncnc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDPK1 O15530 2/20 0.33
IDO1 P14902 1/20 0.33
CCR4 P51679 1/20 0.33
KDM4E B2RXH2 6/20 0.32
GAA P10253 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 4/20 0.31
ALDH1A1 P00352 3/20 0.31
TSHR P16473 3/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL23717786 0.93 CYP1A2 (0.35) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL21725530 0.89 NPC1 (0.33) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL22400168 0.76 PDPK1 (0.34) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL21859720 0.69 ALDH1A1 (0.33) PDPK1HSD17B10ALDH1A1TSHRHTT
SCHEMBL25541484 0.67 NR1I2 (0.36) SMN1; SMN2KDM4EHSD17B10ALDH1A1HTT
SCHEMBL19578800 0.67 PPARA (0.41) IDO1TSHRMEN1KMT2AGLA
SCHEMBL25065157 0.67 HTR2A (0.33) CYP2C19KDRFLT3
SCHEMBL20738344 0.67 IDO1 (0.39) NPC1RAB9AIDO1KDM4EGAA
SCHEMBL20621620 0.67 NR1I2 (0.34) SMN1; SMN2CYP1A2KDM4EHSD17B10ALDH1A1
SCHEMBL21143476 0.67 NR1I2 (0.34) SMN1; SMN2CYP1A2KDM4EHSD17B10ALDH1A1

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 1729/4885RAB9A 2774/4885SMN1; SMN2 2938/4885

“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.