SCHEMBL7065993

SCHEMBL7065993

CC(NC(=O)C(Cc1c[nH]c2ccccc12)NCc1nc2ccccc2[nH]1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.62
MMP8 P22894 3/20 0.62
MMP2 P08253 2/20 0.57
TACR1 P25103 1/20 0.53
ACE P12821 2/20 0.50
ECE1 P42892 6/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.47
APAF1 O14727 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KCNT1 Q5JUK3 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
SCHEMBL7064414 0.83 MMP9 (0.59) MMP9MMP8MMP2TACR1ACE
SCHEMBL7064254 0.82 MMP9 (0.58) MMP9MMP8MMP2TACR1ACE
SCHEMBL8201153 0.80 MMP9 (0.80) MMP9MMP8MMP2TACR1ACE
SCHEMBL8850370 0.80 MMP9 (0.80) MMP9MMP8MMP2TACR1ACE
SCHEMBL8201151 0.80 MMP9 (0.80) MMP9MMP8MMP2TACR1ACE
SCHEMBL7067293 0.79 MMP9 (0.63) MMP9MMP8MMP2TACR1ACE
SCHEMBL7062961 0.79 TACR1 (0.76) MMP9MMP8MMP2TACR1ACE
SCHEMBL7062283 0.79 MMP9 (0.60) MMP9MMP8MMP2TACR1ACE
SCHEMBL7066082 0.78 MMP9 (0.62) MMP9MMP8MMP2TACR1ACE
SCHEMBL8481429 0.78 MMP9 (0.76) MMP9MMP8MMP2TACR1ACE

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-20030065007-A1 NK1 receptor antagonists CRESWELL MARK WALLACE (US) 2003-04-03 US disclosed
US-6472418-B1 Non-peptide NK1 receptors antagonists WARNER-LAMBERT COMPANY 2002-10-29 US disclosed
EP-1140914-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000037462-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-06-29 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-20030065007-A1 NK1 receptor antagonists HRH1, HRH4, HRH2 MMP9 4069/4885MMP8 688/4885MMP2 4257/4885

“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.