SCHEMBL3836693

SCHEMBL3836693

OC1(C#Cc2cccc(Cl)c2)CCC(Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.47
POLB P06746 1/20 0.40
CCR5 P51681 1/20 0.38
TRPA1 O75762 1/20 0.36
PIM1 P11309 2/20 0.35
PIM2 Q9P1W9 1/20 0.35
PTGES O14684 1/20 0.35
RHOC P08134 1/20 0.34
RHOA P61586 1/20 0.34

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
SCHEMBL3837855 0.91 GRM5 (0.48) GRM5POLBPIM1PIM2
SCHEMBL3839765 0.90 GRM5 (0.47) GRM5PIM1PIM2PTGES
SCHEMBL4054691 0.86 GRM5 (0.47) GRM5POLBCCR5TRPA1PTGES
SCHEMBL3837876 0.83 GRM5 (0.49) GRM5POLB
SCHEMBL3835093 0.80 GRM5 (0.44) GRM5PIM1PIM2PTGES
SCHEMBL3835800 0.79 GRM5 (0.45) GRM5PIM1PIM2PTGES
SCHEMBL3836465 0.79 GRM5 (0.47) GRM5PIM1
SCHEMBL3838272 0.79 GRM5 (0.50) GRM5PTGES
SCHEMBL3839809 0.79 GRM5 (0.50) GRM5PTGES
SCHEMBL3839812 0.79 GRM5 (0.50) GRM5PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877367-B1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2009-10-14 EP claimed
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 3731/4885POLB 2945/4885CCR5 2062/4885

“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.