SCHEMBL7101745

SCHEMBL7101745

COc1cc2c(cc1CN[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1c1ccccc1)N(C)C(=O)CS2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.44
HCRTR2 O43614 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CFTR P13569 3/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL6618729 1.00 TACR1 (0.44) TACR1HCRTR2MEN1KMT2AMAPK1
SCHEMBL6603167 0.87 TACR1 (0.44) TACR1HCRTR2MEN1KMT2ACFTR
SCHEMBL7031138 0.87 TACR1 (0.44) TACR1HCRTR2MEN1KMT2ACFTR
SCHEMBL6606866 0.87 TACR1 (0.45) TACR1HCRTR2CFTR
SCHEMBL8664244 0.87 TACR1 (0.45) TACR1HCRTR2CFTR
SCHEMBL6606522 0.87 TACR1 (0.44) TACR1HCRTR2MEN1KMT2ACFTR
SCHEMBL7030644 0.87 TACR1 (0.44) TACR1HCRTR2MEN1KMT2ACFTR
SCHEMBL7562384 0.86 TACR1 (0.44) TACR1HCRTR2MEN1KMT2AMAPT
SCHEMBL6614763 0.86 TACR1 (0.44) TACR1HCRTR2MEN1KMT2AMAPT
SCHEMBL6605112 0.85 TACR1 (0.43) TACR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TACR1 687/4885HCRTR2 143/4885MEN1 2234/4885
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists NPY1R, OPRM1, OPRL1 TACR1 4/4885HCRTR2 135/4885MEN1 2552/4885

“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.