SCHEMBL18501431

SCHEMBL18501431

C[C@H]1CCC(c2nc3ccc(B4OC(C)(C)C(C)(C)O4)cc3[nH]2)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.34
NPY5R Q15761 4/20 0.33
ALDH1A1 P00352 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
LMNA P02545 1/20 0.33
SNCA P37840 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32

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
SCHEMBL17014381 1.00 NPC1 (0.43) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL7604929 0.87 NPC1 (0.58) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL18501425 0.86 NPC1 (0.41) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL16948488 0.82 SCN10A (0.39) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL18506214 0.82 SCN10A (0.39) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL17212632 0.82 NPC1 (0.43) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL15692871 0.81 SCN10A (0.44) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL15205729 0.81 TRPV1 (0.43) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL15206314 0.81 TRPV1 (0.43) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL17212618 0.80 NPC1 (0.42) NPC1RAB9AKDM4EMAPTGFER

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-9738629-B2 Bridged ring compounds as Hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-08-22 US disclosed
US-20170044140-A1 BRIDGED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-02-16 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-20170044140-A1 BRIDGED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SLC10A1, CYP7A1, CYP3A43 NPC1 66/4885RAB9A 1522/4885KDM4E 4237/4885

“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.