SCHEMBL6607716

SCHEMBL6607716

CC(C)Oc1cc2c(cc1CN[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1c1ccccc1)N(C)C(=O)CC2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.39
TACR1 P25103 4/20 0.38
TRPV1 Q8NER1 8/20 0.38
KDM1A O60341 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TRIM24 O15164 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
SCHEMBL8596137 1.00 HCRTR2 (0.39) HCRTR2TACR1TRPV1KDM1AMEN1
SCHEMBL7828679 0.94 HCRTR2 (0.39) HCRTR2TACR1TRPV1KDM1AMEN1
SCHEMBL6604442 0.94 HCRTR2 (0.39) HCRTR2TACR1TRPV1KDM1AMEN1
SCHEMBL6606866 0.89 TACR1 (0.45) HCRTR2TACR1TRPV1KDM1ATRIM24
SCHEMBL8664244 0.89 TACR1 (0.45) HCRTR2TACR1TRPV1KDM1ATRIM24
SCHEMBL6605255 0.89 HCRTR2 (0.39) HCRTR2TACR1TRPV1KDM1AMEN1
SCHEMBL7030644 0.88 TACR1 (0.44) HCRTR2TACR1KDM1AMEN1KMT2A
SCHEMBL6606522 0.88 TACR1 (0.44) HCRTR2TACR1KDM1AMEN1KMT2A
SCHEMBL6603330 0.85 TACR1 (0.43) HCRTR2TACR1KDM1A
SCHEMBL7026966 0.84 TACR1 (0.44) HCRTR2TACR1KDM1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175417-B1 SUBSTITUTED BENZOLACTAM COMPOUNDS PFIZER PROD INC (US) 2004-01-07 EP disclosed
US-20030105124-A1 Substituted benzolactam compounds SOBOLOV-JAYNES SUSAN BETH (US) 2003-06-05 US disclosed
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists WAKABAYASHI HIROAKI (JP) 2002-05-02 US disclosed
US-6288225-B1 Substituted benzolactam compounds as substance P antagonists PFIZER INC 2001-09-11 US disclosed
EP-0840732-B1 SUBSTITUTED BENZOLACTAM COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER (US) 2001-03-07 EP disclosed
US-6180647-B1 GASTROINTESTINAL DISORDERS; NERVOUS SYSTEM DISORDERS PFIZER INC. 2001-01-30 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 (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-20030105124-A1 Substituted benzolactam compounds NPY1R, HAX1, CBR1 HCRTR2 143/4885TACR1 687/4885TRPV1 1759/4885
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists NPY1R, OPRM1, OPRL1 HCRTR2 135/4885TACR1 4/4885TRPV1 72/4885

“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.