SCHEMBL7013605

SCHEMBL7013605

CC(O)CCc1nc2ccccc2n1CCC#N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
TSHR P16473 3/20 0.56
POLB P06746 3/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 1/20 0.56
HTT P42858 1/20 0.56
MAPK1 P28482 2/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 1/20 0.47
GAA P10253 1/20 0.46
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL7096930 0.83 LMNA (0.53) LMNATSHRPOLBALDH1A1SMN1; SMN2
SCHEMBL6944134 0.81 ALDH1A1 (0.62) LMNATSHRPOLBALDH1A1SMN1; SMN2
SCHEMBL20665112 0.80 LMNA (0.61) LMNATSHRPOLBALDH1A1SMN1; SMN2
SCHEMBL7006301 0.80 LMNA (0.59) LMNATSHRPOLBALDH1A1SMN1; SMN2
SCHEMBL8364740 0.80 LMNA (0.64) LMNATSHRPOLBALDH1A1SMN1; SMN2
SCHEMBL24943126 0.80 LMNA (0.64) LMNATSHRPOLBALDH1A1SMN1; SMN2
SCHEMBL8365517 0.77 LMNA (0.68) LMNATSHRPOLBALDH1A1SMN1; SMN2
SCHEMBL7133651 0.77 LMNA (0.58) LMNATSHRPOLBALDH1A1SMN1; SMN2
SCHEMBL7005750 0.75 LMNA (0.45) LMNATSHRPOLBALDH1A1SMN1; SMN2
SCHEMBL7099766 0.75 LMNA (0.54) LMNATSHRPOLBALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235798-A4 1,4 SUBSTITUTED PIPERIDINYL NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2003-04-23 EP disclosed
US-20030018038-A1 1,4 substituted piperidinyl NMDA/NR2B antagonists MERCK & CO., INC. 2003-01-23 US disclosed
US-6476041-B1 1,4 substituted piperidinyl NMDA/NR2B antagonists MERCK & CO., INC. 2002-11-05 US disclosed
EP-1235798-A1 1,4 SUBSTITUTED PIPERIDINYL NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2002-09-04 EP disclosed
WO-2001032615-A1 1,4 SUBSTITUTED PIPERIDINYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2001-05-10 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-20030018038-A1 1,4 substituted piperidinyl NMDA/NR2B antagonists GRIN1, GRIN2A, GRIN2B LMNA 4661/4885TSHR 3109/4885POLB 3602/4885

“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.