SCHEMBL5141200

SCHEMBL5141200

CC(=O)Oc1ccc(C#Cc2ccc(N3CCC(O)(Cc4cc(Cl)ccc4Cl)CC3)nn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.38
PANK3 Q9H999 1/20 0.37
MCHR1 Q99705 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
FPR2 P25090 4/20 0.33
PROKR1 Q8TCW9 4/20 0.33
TACR3 P29371 4/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL3829377 0.87 GRM5 (0.38) GRM5MCHR1FPR2PROKR1
SCHEMBL3831535 0.83 GRM5 (0.43) GRM5PANK3ACACB
SCHEMBL14206779 0.81 GRM5 (0.40) GRM5PANK3MCHR1FPR2PROKR1
SCHEMBL3829403 0.79 SCD (0.42) PANK3
SCHEMBL5105366 0.73 CNR2 (0.39) TRPV4FPR2PROKR1
SCHEMBL3825802 0.69 KMT2A (0.44) PANK3
SCHEMBL3831560 0.68 GRM5 (0.39) GRM5PANK3
SCHEMBL3825833 0.67 GRM5 (0.44) GRM5
SCHEMBL3825041 0.67 SCD (0.41)
SCHEMBL3826325 0.66 GRM5 (0.40) GRM5PANK3

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
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US claimed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 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-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS SCD, SCD5, ACACA GRM5 2947/4885PANK3 1526/4885MCHR1 4483/4885

“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.