SCHEMBL3839765

SCHEMBL3839765

OC1(C#Cc2cccc(Cl)c2)CCC(Nc2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.47
PIM1 P11309 2/20 0.35
PIM2 Q9P1W9 1/20 0.35
PTGES O14684 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
EPHX1 P07099 1/20 0.34
TSHR P16473 1/20 0.34
EPHX2 P34913 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CTSV O60911 1/20 0.34
PLAT P00750 1/20 0.34
CTSL P07711 1/20 0.34
CTSH P09668 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 0.94 GRM5 (0.48) GRM5PIM1PIM2MEN1KMT2A
SCHEMBL3836693 0.90 GRM5 (0.47) GRM5PIM1PIM2PTGES
SCHEMBL3837876 0.83 GRM5 (0.49) GRM5NPC1RAB9AALDH1A1
SCHEMBL3835800 0.79 GRM5 (0.45) GRM5PIM1PIM2PTGES
SCHEMBL3836465 0.79 GRM5 (0.47) GRM5PIM1KCNH2
SCHEMBL3839809 0.79 GRM5 (0.50) GRM5PTGESKCNH2
SCHEMBL3838272 0.79 GRM5 (0.50) GRM5PTGESKCNH2
SCHEMBL3839812 0.79 GRM5 (0.50) GRM5PTGESKCNH2
SCHEMBL3835093 0.78 GRM5 (0.44) GRM5PIM1PIM2PTGESNPC1
SCHEMBL3836423 0.77 GRM5 (0.58) GRM5NPC1RAB9A

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 3731/4885PIM1 1455/4885PIM2 1301/4885

“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.