SCHEMBL14130744

SCHEMBL14130744

CC(=O)Oc1cccc(C#Cc2ccc(N3CCN(Cc4ccccc4F)CC3)nn2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ HTT P42858 2/20 0.42
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ POLB P06746 2/20 0.41
▸ PANK3 Q9H999 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ RET P07949 1/20 0.38
▸ GPR6 P46095 1/20 0.38
▸ CACNA1G O43497 1/20 0.37

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
SCHEMBL3825802 0.90 KMT2A (0.44) KMT2AMEN1HTTKDM4EALDH1A1
SCHEMBL3832517 0.84 POLB (0.44) KMT2AMEN1HTTKDM4EALDH1A1
SCHEMBL3826325 0.83 GRM5 (0.40) PANK3GRM5
SCHEMBL3844811 0.82 SCD (0.42) GRM5
SCHEMBL14130900 0.81 GRM5 (0.40) GRM5
SCHEMBL3832521 0.78 GRM5 (0.42) PANK3GRM5
SCHEMBL3832697 0.78 GRM5 (0.42) PANK3GRM5
SCHEMBL14131013 0.78 GRM5 (0.42) PANK3GRM5
SCHEMBL13930469 0.78 DRD2 (0.38) GRM5
SCHEMBL4449297 0.77 GRM5 (0.36) PANK3GRM5

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 1 patent. 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 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 KMT2A 2996/4885MEN1 4867/4885HTT 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.

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