SCHEMBL17792135

SCHEMBL17792135

CCC1(C(C)=O)CC(Sc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2C)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CHRM1 P11229 1/20 0.42
TSHR P16473 1/20 0.42
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
CCR2 P41597 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL17792136 0.94 NPC1 (0.47) NPC1RAB9ACHRM1TSHRMAOB
SCHEMBL17784057 0.87 NPC1 (0.49) NPC1RAB9ACHRM1TSHRMAOB
SCHEMBL17795673 0.87 NPC1 (0.49) NPC1RAB9ACHRM1TSHRMAOB
SCHEMBL17784055 0.87 NPC1 (0.49) NPC1RAB9ACHRM1TSHRMAOB
SCHEMBL17792186 0.87 NPC1 (0.49) NPC1RAB9ACHRM1TSHRMAOB
SCHEMBL17816180 0.84 NPC1 (0.46) NPC1RAB9ACHRM1TSHRMAOB
SCHEMBL17816170 0.84 NPC1 (0.46) NPC1RAB9ACHRM1TSHRMAOB
SCHEMBL17784088 0.82 NPC1 (0.50) NPC1RAB9ATSHRMAOBMAOA
SCHEMBL17792118 0.82 NPC1 (0.50) NPC1RAB9AMAOBMAOAMAPT
SCHEMBL17792172 0.81 NPC1 (0.49) NPC1RAB9AMAOBMAOAMAPT

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-20160151375-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. 2016-06-02 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-20160151375-A1 SULFIDE ALKYL COMPOUNDS FOR HBV TREATMENT HAVCR2, HCCS, CBS NPC1 205/4885RAB9A 3577/4885CHRM1 4719/4885

“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.