SCHEMBL13155604

SCHEMBL13155604

CC[C@@H](Nc1ccccn1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FDPS P14324 1/20 0.45
CXCR4 P61073 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
MAPK10 P53779 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX12 P18054 1/20 0.41
FABP1 P07148 1/20 0.41
FABP6 P51161 1/20 0.41
GAA P10253 1/20 0.41
GRM5 P41594 1/20 0.41
POLB P06746 1/20 0.41
CCNA2 P20248 2/20 0.39

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
SCHEMBL9847026 0.83 KDM4E (0.49) KDM4EHTTNPSR1L3MBTL1FDPS
SCHEMBL6442872 0.81 HCAR3 (0.50) KDM4EHTTNPSR1L3MBTL1FDPS
SCHEMBL24568583 0.81 HCAR3 (0.50) KDM4EHTTNPSR1L3MBTL1FDPS
SCHEMBL17234444 0.79 POLB (0.49) KDM4EHTTNPSR1L3MBTL1FDPS
SCHEMBL17234448 0.79 POLB (0.49) KDM4EHTTNPSR1L3MBTL1FDPS
SCHEMBL30920005 0.79 POLB (0.49) KDM4EHTTNPSR1L3MBTL1FDPS
SCHEMBL18553327 0.79 POLB (0.49) KDM4EHTTNPSR1L3MBTL1FDPS
SCHEMBL30919964 0.79 POLB (0.49) KDM4EHTTNPSR1L3MBTL1FDPS
SCHEMBL8916970 0.77 CDK2 (0.38) HTTALDH1A1MEN1KMT2ACYP2C19
SCHEMBL13154005 0.77 CDK2 (0.38) HTTALDH1A1MEN1KMT2ACYP2C19

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-8507522-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 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-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KDM4E 1193/4885HTT 4444/4885NPSR1 2789/4885

“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.