SCHEMBL18740587

SCHEMBL18740587

Cc1ccc(CN2OC[C@@H](N)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 4/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL18740588 1.00 KMT2A (0.41) KMT2AMAPTTP53SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL28709662 0.98 KMT2A (0.40) KMT2AMAPTTP53SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL28709659 0.98 KMT2A (0.40) KMT2AMAPTTP53SMN1; SMN2MEN1
SCHEMBL18740496 0.84 ALDH1A1 (0.41) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL18740497 0.84 ALDH1A1 (0.41) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL7846754 0.84 ALDH1A1 (0.42) KMT2ASMN1; SMN2MEN1GAAALDH1A1
Hydrochloric Acid SCHEMBL18740594 0.83 ALDH1A1 (0.41) KMT2AMAPTLMNAALDH1A1POLB
Hydrochloric Acid SCHEMBL18740595 0.83 ALDH1A1 (0.41) KMT2AMAPTLMNAALDH1A1POLB
SCHEMBL18740499 0.81 KMT2A (0.41) KMT2AMAPTTP53SMN1; SMN2MEN1
SCHEMBL18763261 0.79 KMT2A (0.40) KMT2AMAPTTP53SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954225-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-23 US disclosed
EP-3362447-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-08-26 EP disclosed
US-20200115370-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-04-16 US disclosed
US-20180312495-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-11-01 US disclosed
EP-3362447-A1 SELECTIVE NR2B ANTAGONISTS Bristol-Myers Squibb Company (US) 2018-08-22 EP disclosed
WO-2017066368-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-20 WO disclosed
WO-2017066368-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-20 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 (3 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-20200115370-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN1 KMT2A 2099/4885MAPT 1275/4885TP53 4687/4885
US-10954225-B2 Selective NR2B antagonists GRIN2B, GRIN2A, GRIN1 KMT2A 2099/4885MAPT 1275/4885TP53 4687/4885
US-20180312495-A1 SELECTIVE NR2B ANTAGONISTS GRIN2A, GRIN2B, GRIN1 KMT2A 1992/4885MAPT 1373/4885TP53 4715/4885

“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.