SCHEMBL4336463

SCHEMBL4336463

CN1CCCCC1N(C)c1nc2cc(N)ccc2o1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
RXFP1 Q9HBX9 2/20 0.40
MEN1 O00255 1/20 0.40
CASP3 P42574 1/20 0.40
KMT2A Q03164 1/20 0.40
MAP4K4 O95819 2/20 0.38
GFER P55789 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.36

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
Hydrochloric Acid SCHEMBL3750000 0.99 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1RXFP1
SCHEMBL3744263 0.80 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1RXFP1
Hydrochloric Acid SCHEMBL3756459 0.79 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1RXFP1
SCHEMBL3744427 0.78 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1RXFP1
Hydrochloric Acid SCHEMBL3748830 0.77 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1RXFP1
SCHEMBL3743854 0.74 SIGMAR1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1RXFP1
SCHEMBL18344062 0.74 RAB9A (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1RXFP1
SCHEMBL18344140 0.73 NPC1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1RXFP1
SCHEMBL30028457 0.72 RAB9A (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1RXFP1
SCHEMBL3747003 0.71 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1RXFP1

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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R NPC1 689/4885RAB9A 1154/4885SMN1; SMN2 2294/4885

“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.