SCHEMBL7006301

SCHEMBL7006301

CC(=O)CCc1nc2ccccc2n1CCC#N

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
POLB P06746 2/20 0.59
ALDH1A1 P00352 2/20 0.59
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 1/20 0.51
PIN1 Q13526 3/20 0.50
HDAC6 Q9UBN7 1/20 0.50
KMT2A Q03164 1/20 0.48
APEX1 P27695 1/20 0.47
MAPT P10636 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
SCHEMBL7096930 0.81 LMNA (0.53) LMNASMN1; SMN2POLBALDH1A1TP53
SCHEMBL6944134 0.81 ALDH1A1 (0.62) LMNASMN1; SMN2POLBALDH1A1TP53
SCHEMBL20665112 0.80 LMNA (0.61) LMNASMN1; SMN2POLBALDH1A1TP53
SCHEMBL7013605 0.80 LMNA (0.56) LMNASMN1; SMN2POLBALDH1A1TP53
SCHEMBL8364740 0.80 LMNA (0.64) LMNASMN1; SMN2POLBALDH1A1TP53
SCHEMBL24943126 0.80 LMNA (0.64) LMNASMN1; SMN2POLBALDH1A1TP53
SCHEMBL7133651 0.80 LMNA (0.58) LMNASMN1; SMN2POLBALDH1A1TP53
SCHEMBL8365517 0.77 LMNA (0.68) LMNASMN1; SMN2POLBALDH1A1TP53
SCHEMBL19002222 0.74 LMNA (0.68) LMNASMN1; SMN2POLBALDH1A1TP53
SCHEMBL6488431 0.72 SMN1; SMN2 (0.61) LMNASMN1; SMN2POLBALDH1A1TP53

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 4661/4885SMN1; SMN2 761/4885POLB 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.