SCHEMBL6128481

SCHEMBL6128481

N/C(=N\O)C1CCCN(Cc2ccccc2)C(=O)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 2/20 0.47
DPP4 P27487 1/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 6/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL15154238 1.00 L3MBTL1 (0.48) L3MBTL1KMT2ADPP4HPGDTSHR
SCHEMBL15163834 0.84 KMT2A (0.47) L3MBTL1KMT2ADPP4SMN1; SMN2HTT
SCHEMBL15154055 0.79 HTT (0.48) KMT2ASMN1; SMN2HTTALDH1A1LMNA
SCHEMBL15154054 0.79 HTT (0.48) KMT2ASMN1; SMN2HTTALDH1A1LMNA
SCHEMBL15154241 0.78 L3MBTL1 (0.48) L3MBTL1KMT2ADPP4HPGDTSHR
SCHEMBL6128482 0.77 L3MBTL1 (0.56) L3MBTL1KMT2ADPP4HPGDTSHR
SCHEMBL27001822 0.76 SMN1; SMN2 (0.57) L3MBTL1KMT2ADPP4HPGDTSHR
SCHEMBL2525981 0.72 ALDH1A1 (0.60) L3MBTL1KMT2AHPGDTSHRSMN1; SMN2
SCHEMBL9141666 0.71 ALDH1A1 (0.59) L3MBTL1KMT2AHPGDTSHRSMN1; SMN2
SCHEMBL9141661 0.71 ALDH1A1 (0.59) L3MBTL1KMT2AHPGDTSHRSMN1; SMN2

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
US-20130203735-A1 CAPROLACTAM MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2013-08-08 US disclosed
US-20130203735-A1 CAPROLACTAM MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2013-08-08 US disclosed
US-20130203735-A1 CAPROLACTAM MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2013-08-08 US disclosed
WO-2012058128-A2 CAPROLACTAM MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-05-03 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-20130203735-A1 CAPROLACTAM MGLUR5 RECEPTOR MODULATORS GRM5, GRIK5, GRM1 L3MBTL1 3530/4885KMT2A 2543/4885DPP4 1340/4885

“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.