SCHEMBL3828569

SCHEMBL3828569

OC1CCN(c2ncc(I)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP2C19 P33261 1/20 0.40
AOC3 Q16853 4/20 0.39
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
AURKA O14965 2/20 0.35
CDC7 O00311 1/20 0.35
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
PDPK1 O15530 1/20 0.35
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
PAK4 O96013 1/20 0.35
CHEK2 O96017 1/20 0.35
EGFR P00533 1/20 0.35
NTRK1 P04629 1/20 0.35
PRKCG P05129 1/20 0.35

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
SCHEMBL19864978 0.82 SMO (0.43) SMOLMNAHTTKDM4ECYP2C19
SCHEMBL356301 0.81 SMO (0.42) SMOLMNAHTTKDM4ECYP2C19
SCHEMBL356575 0.81 SMO (0.42) SMOLMNAHTTKDM4ECYP2C19
SCHEMBL2520522 0.81 SMO (0.48) SMOLMNAHTTKDM4ECYP2C19
SCHEMBL356595 0.81 GPR119 (0.49) SMOLMNAHTTKDM4ECYP2C19
SCHEMBL24656049 0.81 AOC3 (0.42) SMOLMNAHTTKDM4ECYP2C19
SCHEMBL3929507 0.81 RIPK1 (0.46) SMOKDM4ECYP2C19AOC3
SCHEMBL18150782 0.78 SMO (0.40) SMOLMNAHTTKDM4ECYP2C19
SCHEMBL2333090 0.78 ACACB (0.41) SMOLMNAHTTKDM4ECYP2C19
SCHEMBL1874079 0.78 KDM4E (0.61) SMOLMNAHTTKDM4ECYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099755-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2009-09-16 EP disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US disclosed
WO-2008062276-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-05-29 WO 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-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS SCD, SCD5, ACACA SMO 1749/4885LMNA 823/4885HTT 2935/4885

“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.