SCHEMBL7032701

SCHEMBL7032701

COc1cc2c(cc1CN[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1c1ccccc1)C(C)(C)C(=S)N2C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.46
HCRTR2 O43614 1/20 0.40
CYP2D6 P10635 2/20 0.39
CFTR P13569 3/20 0.36
KDM1A O60341 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6604119 1.00 TACR1 (0.46) TACR1HCRTR2CYP2D6CFTRKDM1A
SCHEMBL6604045 0.86 TACR1 (0.44) TACR1HCRTR2CYP2D6CFTRKDM1A
SCHEMBL7030797 0.86 TACR1 (0.44) TACR1HCRTR2CYP2D6CFTRKDM1A
SCHEMBL6607867 0.85 TACR1 (0.44) TACR1HCRTR2CYP2D6CFTRKDM1A
SCHEMBL8664244 0.84 TACR1 (0.45) TACR1HCRTR2CYP2D6CFTRKDM1A
SCHEMBL6606866 0.84 TACR1 (0.45) TACR1HCRTR2CYP2D6CFTRKDM1A
SCHEMBL6618729 0.83 TACR1 (0.44) TACR1HCRTR2CFTRPDE4APDE4B
SCHEMBL7101745 0.83 TACR1 (0.44) TACR1HCRTR2CFTRPDE4APDE4B
SCHEMBL7031138 0.83 TACR1 (0.44) TACR1HCRTR2CYP2D6CFTRKDM1A
SCHEMBL6603167 0.83 TACR1 (0.44) TACR1HCRTR2CYP2D6CFTRKDM1A

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 143/4885CYP2D6 9/4885
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists NPY1R, OPRM1, OPRL1 TACR1 4/4885HCRTR2 135/4885CYP2D6 632/4885

“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.