SCHEMBL3840451

SCHEMBL3840451

O=C1CCC(O)(C#Cc2cccc(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.48
KCNH2 Q12809 1/20 0.40
KCNA3 P22001 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 1/20 0.38
NR2F2 P24468 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL4052069 0.84 GRM5 (0.46) GRM5KCNH2NPC1RAB9APOLB
SCHEMBL5115607 0.80 GRM5 (0.46) GRM5KCNH2CYP3A4
SCHEMBL5122918 0.78 GRM5 (0.54) GRM5CYP3A4
SCHEMBL3838272 0.78 GRM5 (0.50) GRM5KCNH2
SCHEMBL3839809 0.78 GRM5 (0.50) GRM5KCNH2
SCHEMBL3839812 0.78 GRM5 (0.50) GRM5KCNH2
SCHEMBL5124137 0.77 GRM5 (0.50) GRM5CYP3A4
SCHEMBL3835858 0.77 GRM5 (0.44) GRM5KCNH2NPC1RAB9A
SCHEMBL3838268 0.76 GRM5 (0.52) GRM5RAB9APOLB
SCHEMBL5128660 0.75 GRM5 (0.44) GRM5KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877367-B1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2009-10-14 EP disclosed
US-20080194551-A1 Acetylene Derivatives NOVARTIS PHARMA GMBH (AT) 2008-08-14 US disclosed
EP-1877367-A1 ACETYLENE DERIVATIVES Novartis AG (US) 2008-01-16 EP disclosed
WO-2006114264-A1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2006-11-02 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-20080194551-A1 Acetylene Derivatives NAT1, B3GNT2, NAT10 GRM5 3731/4885KCNH2 2950/4885KCNA3 2282/4885

“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.