SCHEMBL2073379

SCHEMBL2073379

COC(=O)[C@@]1(NC(=O)C2CCCCN2C(=O)O)C[C@@H]1c1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTSR2 O95665 6/20 0.36
NTSR1 P30989 6/20 0.36
KMT2A Q03164 1/20 0.36
EP300 Q09472 2/20 0.35
CREBBP Q92793 2/20 0.35
FKBP1A P62942 3/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2072725 1.00 NTSR2 (0.36) NTSR2NTSR1KMT2AEP300CREBBP
SCHEMBL2072723 1.00 NTSR2 (0.36) NTSR2NTSR1KMT2AEP300CREBBP
SCHEMBL2073382 1.00 NTSR2 (0.36) NTSR2NTSR1KMT2AEP300CREBBP
SCHEMBL2074625 0.88 NTSR2 (0.37) NTSR2NTSR1KMT2AFKBP1ACYP2C19
SCHEMBL2074624 0.88 NTSR2 (0.37) NTSR2NTSR1KMT2AFKBP1ACYP2C19
SCHEMBL2073359 0.88 LMNA (0.46) KMT2AALDH1A1KDM4E
SCHEMBL12423552 0.88 LMNA (0.46) KMT2AALDH1A1KDM4E
SCHEMBL2073361 0.88 LMNA (0.46) KMT2AALDH1A1KDM4E
SCHEMBL2073363 0.88 LMNA (0.46) KMT2AALDH1A1KDM4E
SCHEMBL2073040 0.81 LMNA (0.46) KMT2AALDH1A1KDM4E

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
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
EP-2231597-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2010-09-29 EP disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
WO-2009074829-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2009-06-18 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 (2 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-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R NTSR2 264/4885NTSR1 160/4885KMT2A 3944/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R NTSR2 264/4885NTSR1 160/4885KMT2A 3944/4885

“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.