SCHEMBL7062980

SCHEMBL7062980

CC(Cc1c[nH]c2ccccc12)(NCc1cc2ccccc2o1)C(=O)NC(C)(C)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.57
CCKBR P32239 4/20 0.45
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TACR3 P29371 1/20 0.41
NMBR P28336 1/20 0.40

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
SCHEMBL13524867 0.85 TACR1 (0.55) TACR1CCKBRMEN1NPC1POLB
SCHEMBL7062087 0.84 TACR1 (0.76) TACR1TACR3
SCHEMBL13525369 0.84 TACR1 (0.55) TACR1CCKBRMEN1NPC1POLB
SCHEMBL7847443 0.83 TACR1 (0.62) TACR1TACR3
SCHEMBL7067242 0.83 TACR1 (0.62) TACR1TACR3
SCHEMBL7066193 0.83 TACR1 (0.60) TACR1TACR3
SCHEMBL7855382 0.82 TACR1 (0.51) TACR1CCKBRMEN1NPC1POLB
SCHEMBL7061471 0.82 TACR1 (0.53) TACR1CCKBRMEN1NPC1POLB
SCHEMBL7846815 0.81 TACR1 (0.68) TACR1TACR3
SCHEMBL7067703 0.81 TACR1 (0.68) TACR1TACR3

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 2 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

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 18/4885CCKBR 275/4885MEN1 2856/4885

“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.