SCHEMBL3277828

SCHEMBL3277828

NC(=O)[C@H]1CCC[C@@](O)(C#Cc2cccc(F)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.52
MAP3K14 Q99558 2/20 0.37
PRKD1 Q15139 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
SCHEMBL3281650 1.00 GRM5 (0.52) GRM5MAP3K14PRKD1
SCHEMBL3276329 0.87 GRM5 (0.51) GRM5
SCHEMBL3373517 0.87 GRM5 (0.51) GRM5
SCHEMBL1899365 0.87 GRM5 (0.51) GRM5
SCHEMBL1897459 0.86 GRM5 (0.56) GRM5
SCHEMBL2813707 0.86 GRM5 (0.56) GRM5
SCHEMBL3281658 0.83 GRM5 (0.50) GRM5
SCHEMBL3277834 0.83 GRM5 (0.50) GRM5
SCHEMBL3799474 0.82 GRM5 (0.47) GRM5
SCHEMBL4880266 0.80 GRM5 (0.53) GRM5

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-20100099682-A1 ACETYLENE DERIVATIVES NOVARTIS AG 2010-04-22 US disclosed
US-7696379-B2 Acetylene derivatives NOVARTIS AG (CH) 2010-04-13 US disclosed
US-20080214673-A1 Acetylene Derivatives NOVARTIS AG (CH) 2008-09-04 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 (2 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-20100099682-A1 ACETYLENE DERIVATIVES NAT1, NAT10, F12 GRM5 3794/4885MAP3K14 1709/4885PRKD1 2128/4885
US-20080214673-A1 Acetylene Derivatives NAT1, NAT10, F12 GRM5 3794/4885MAP3K14 1709/4885PRKD1 2128/4885

“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.