SCHEMBL7600733

SCHEMBL7600733

COc1cc2c(cc1CNC1CCCN(C(=O)OC(C)(C)C)C1c1ccccc1)C(C(F)(F)F)CC(=O)N2C

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.43
CYP2D6 P10635 3/20 0.43
HCRTR2 O43614 1/20 0.37

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
SCHEMBL6605112 1.00 TACR1 (0.43) TACR1CYP2D6HCRTR2
SCHEMBL7163391 0.85 TACR1 (0.60) TACR1CYP2D6HCRTR2
SCHEMBL7163385 0.85 TACR1 (0.60) TACR1CYP2D6HCRTR2
SCHEMBL6606866 0.85 TACR1 (0.45) TACR1CYP2D6HCRTR2
SCHEMBL8664244 0.85 TACR1 (0.45) TACR1CYP2D6HCRTR2
SCHEMBL7101745 0.85 TACR1 (0.44) TACR1HCRTR2
SCHEMBL7136675 0.85 TACR1 (0.61) TACR1CYP2D6HCRTR2
SCHEMBL6618729 0.85 TACR1 (0.44) TACR1HCRTR2
SCHEMBL7867884 0.85 TACR1 (0.61) TACR1CYP2D6HCRTR2
SCHEMBL7562384 0.84 TACR1 (0.44) TACR1CYP2D6HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists WAKABAYASHI HIROAKI (JP) 2002-05-02 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-20020052503-A1 Substituted benzolactam compounds as substance p antagonists NPY1R, OPRM1, OPRL1 TACR1 4/4885CYP2D6 632/4885HCRTR2 135/4885

“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.