SCHEMBL3840428

SCHEMBL3840428

COC(=O)N[C@H]1CC[C@](O)(C#Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.42
PRCP P42785 1/20 0.40
ATF4 P18848 1/20 0.39
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
LMNA P02545 1/20 0.37
CNR1 P21554 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
XBP1 P17861 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KCNA3 P22001 1/20 0.36
APOB P04114 1/20 0.36
MTTP P55157 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL3840427 1.00 GRM5 (0.42) GRM5PRCPATF4CCR1CCR5
SCHEMBL3841882 1.00 GRM5 (0.42) GRM5PRCPATF4CCR1CCR5
SCHEMBL3836423 0.87 GRM5 (0.58) GRM5L3MBTL1
SCHEMBL3836422 0.87 GRM5 (0.58) GRM5L3MBTL1
SCHEMBL3836455 0.76 GRM5 (0.52) GRM5L3MBTL1KCNA3
SCHEMBL3860245 0.76 GRM5 (0.52) GRM5L3MBTL1KCNA3
SCHEMBL3836458 0.76 GRM5 (0.52) GRM5L3MBTL1KCNA3
SCHEMBL28349715 0.71 SMN1; SMN2 (0.44) LMNAL3MBTL1SMN1; SMN2KDM4EXBP1
SCHEMBL3835764 0.71 GRM5 (0.46) GRM5L3MBTL1EPHX2
SCHEMBL3841449 0.70 GRM5 (0.46) GRM5ALDH1A1EPHX2

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
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

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 3731/4885PRCP 1555/4885ATF4 1420/4885

“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.