SCHEMBL10260403

SCHEMBL10260403

CC(C)c1nc(CCC/C=C/c2cccc(-c3nn(C(C)C)nc3-c3ccccc3)c2)cs1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
NCOR2 Q9Y618 1/20 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
SCHEMBL10260051 0.97 SLC6A3 (0.34) SLC6A3DRD2HTR2AHRH1HDAC3
SCHEMBL10260674 0.94 SLC6A3 (0.35) SLC6A3DRD2HTR2AHRH1HDAC1
SCHEMBL10292926 0.93 SLC6A3 (0.34) SLC6A3DRD2HTR2AHRH1HDAC3
SCHEMBL10260889 0.89 SLC6A3 (0.36) SLC6A3DRD2HTR2AHRH1
SCHEMBL10292769 0.87 SLC6A3 (0.35) SLC6A3DRD2HTR2AHRH1HDAC1
SCHEMBL10260413 0.84 DRD2 (0.35) SLC6A3DRD2HTR2AHRH1
SCHEMBL10260553 0.82 SLC6A3 (0.38) SLC6A3DRD2HTR2AHRH1HDAC3
SCHEMBL10260842 0.82 SLC6A3 (0.38) SLC6A3DRD2HTR2AHRH1
SCHEMBL10260475 0.82 SLC6A3 (0.37) SLC6A3DRD2HTR2AHRH1HDAC3
SCHEMBL10260584 0.82 SLC6A3 (0.37) SLC6A3DRD2HTR2AHRH1HDAC3

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-8211891-B2 Difluoromethyl-containing macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-20090274657-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-11-05 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-20090274657-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CTSC, DPP4, SPINT2 SLC6A3 2668/4885DRD2 4784/4885HTR2A 3616/4885

“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.