SCHEMBL17344005

SCHEMBL17344005

CCCc1nc(NCCN2CCOCC2)c(C#N)c2c1CCCC2

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.84
KDM4E B2RXH2 15/20 0.65
ALDH1A1 P00352 13/20 0.62
HPGD P15428 9/20 0.61
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ATM Q13315 1/20 0.53
POLB P06746 3/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 1/20 0.51
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL24256420 0.70 KDM4E (0.73) LMNAKDM4EALDH1A1HPGDKMT2A
SCHEMBL17344002 0.66 ALDH1A1 (1.00) LMNAKDM4EALDH1A1HPGDMEN1
SCHEMBL12655045 0.65 TLR9 (0.58) LMNASMN1; SMN2GAAMAPTTSHR
SCHEMBL24256416 0.65 KDM4E (0.66) LMNAKDM4EALDH1A1HPGDMEN1
SCHEMBL24256417 0.65 KDM4E (0.71) LMNAKDM4EALDH1A1HPGDKMT2A
SCHEMBL24256904 0.65 L3MBTL1 (0.83) LMNAKDM4EALDH1A1HPGDMEN1
SCHEMBL6955347 0.64 LMNA (0.51) LMNAKDM4EALDH1A1HPGDPOLB
SCHEMBL6444222 0.64 ALDH1A1 (0.63) LMNAKDM4EALDH1A1HPGDMEN1
SCHEMBL6445232 0.64 ACHE (0.56) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL24324971 0.62 SIGMAR1 (0.47) LMNAKDM4EMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150361046-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR3 MERCK PATENT GMBH (DE) 2015-12-17 US disclosed
US-20150361046-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR3 MERCK PATENT GMBH (DE) 2015-12-17 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-20150361046-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR3 GRM3, GRM1, GRM4 LMNA 4761/4885KDM4E 1126/4885ALDH1A1 4723/4885

“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.