SCHEMBL392148

SCHEMBL392148

O=c1[nH]ccc2cc(-c3ccc(OC4CC4)cc3)sc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 12/20 0.47
ROCK2 O75116 2/20 0.47
PRKCD Q05655 2/20 0.47
PRKACA P17612 1/20 0.47
PRKG1 Q13976 1/20 0.47
PKN1 Q16512 1/20 0.47
PKN2 Q16513 1/20 0.47
AAK1 Q2M2I8 1/20 0.47
CDC42BPA Q5VT25 1/20 0.47
Q6ZSR9 Q6ZSR9 1/20 0.47
BMP2K Q9NSY1 1/20 0.47
CDC42BPB Q9Y5S2 1/20 0.47
PRKX P51817 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKD1 Q15139 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PDPK1 O15530 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL390245 0.78 HDAC6 (0.46) NPC1RAB9APDPK1KDM4EALDH1A1
SCHEMBL386804 0.76 RAB9A (0.49) NPC1RAB9APDPK1KDM4EALDH1A1
SCHEMBL391808 0.76 PDPK1 (0.57) NPC1RAB9APDPK1KDM4EALDH1A1
SCHEMBL2576927 0.76 SCD (0.44) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL390356 0.71 PDPK1 (0.42) NPC1RAB9APDPK1KDM4EALDH1A1
SCHEMBL390192 0.71 KDM4E (0.47) NPC1RAB9APDPK1KDM4EALDH1A1
SCHEMBL389801 0.68 STK17B (0.43) NPC1RAB9APDPK1KDM4EALDH1A1
SCHEMBL7638319 0.66 ESR1 (0.44) HPGDGGPS1FDPS
SCHEMBL390588 0.66 PDGFRB (0.42) PRKACANPC1RAB9APDPK1KDM4E
SCHEMBL1204579 0.66 ROCK1 (0.85) ROCK1ROCK2PRKCDPRKACAPRKG1

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-8101764-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-01-21 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-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R ROCK1 438/4885ROCK2 639/4885PRKCD 2356/4885

“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.