SCHEMBL8950128

SCHEMBL8950128

CC(C)NC(=O)c1ncnn1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.36
CHRM2 P08172 1/20 0.35
GRM5 P41594 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGDS O60760 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
CA9 Q16790 1/20 0.34
XDH P47989 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33
MLYCD O95822 1/20 0.33

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
SCHEMBL8950240 0.84 PIK3CA (0.38) EGLN2
SCHEMBL12410910 0.81 NPSR1 (0.33) EGLN2MAPTKDM4EHPGDTSHR
SCHEMBL8996043 0.81 KDM4E (0.42) EGLN2CHRM2GRM5SIGMAR1MAPT
SCHEMBL1431710 0.78 KDM4E (0.36) KDM4ESMN1; SMN2HPGD
SCHEMBL1485662 0.78 SRC (0.35) KDM4E
SCHEMBL8954913 0.78 BRD4 (0.40) MAPTKDM4EMMP1MMP2MMP9
SCHEMBL8950348 0.78 HTR4 (0.41) GRM5KDM4ESMN1; SMN2TSHR
SCHEMBL18018738 0.77 DGAT1 (0.33)
SCHEMBL12410702 0.77 PIK3CA (0.39)
SCHEMBL24769546 0.76

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-8188085-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2012-05-29 US disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 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-20100113439-A1 Antifungal agents GMDS, GBA3, UGGT1 EGLN2 1979/4885CHRM2 4447/4885GRM5 3732/4885

“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.