SCHEMBL7062825

SCHEMBL7062825

CC(NC(=O)C(Cc1c[nH]c2ccccc12)NCCc1cc2ccccc2o1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.74
MMP9 P14780 2/20 0.58
MMP8 P22894 2/20 0.58
MMP2 P08253 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ACE P12821 1/20 0.47
ECE1 P42892 6/20 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
SCHEMBL7062961 0.91 TACR1 (0.76) TACR1MMP9MMP8MMP2MEN1
SCHEMBL7064065 0.86 TACR1 (0.68) TACR1MMP9MMP8MMP2ACE
SCHEMBL7067777 0.85 TACR1 (0.67) TACR1MMP9MMP8MMP2ACE
SCHEMBL7062283 0.79 MMP9 (0.60) TACR1MMP9MMP8MMP2MEN1
SCHEMBL7064414 0.79 MMP9 (0.59) TACR1MMP9MMP8MMP2MEN1
SCHEMBL7066023 0.78 MMP9 (0.61) TACR1MMP9MMP8MMP2MEN1
SCHEMBL7846982 0.78 BRS3 (0.60) TACR1MEN1KMT2A
SCHEMBL8201153 0.77 MMP9 (0.80) TACR1MMP9MMP8MMP2MEN1
SCHEMBL8850370 0.77 MMP9 (0.80) TACR1MMP9MMP8MMP2MEN1
SCHEMBL8201151 0.77 MMP9 (0.80) TACR1MMP9MMP8MMP2MEN1

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 8 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 claimed
US-6472418-B1 Non-peptide NK1 receptors antagonists WARNER-LAMBERT COMPANY 2002-10-29 US claimed
EP-1140914-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP claimed
WO-2000037462-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-06-29 WO claimed
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 TACR1 18/4885MMP9 4069/4885MMP8 688/4885

“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.