SCHEMBL7562384

SCHEMBL7562384

COc1cc2c(cc1CN[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1c1ccccc1)N(C)C(=O)CO2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.44
HCRTR2 O43614 1/20 0.40
HTR1A P08908 2/20 0.37
HTR2C P28335 1/20 0.37
CYP2D6 P10635 3/20 0.36
CFTR P13569 3/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 1/20 0.35
OPRK1 P41145 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM1A O60341 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6614763 1.00 TACR1 (0.44) TACR1HCRTR2HTR1AHTR2CCYP2D6
SCHEMBL6604635 0.87 TACR1 (0.44) TACR1HCRTR2CYP2D6CFTRMEN1
SCHEMBL7033833 0.87 TACR1 (0.44) TACR1HCRTR2CYP2D6CFTRMEN1
SCHEMBL7030644 0.86 TACR1 (0.44) TACR1HCRTR2CYP2D6CFTRMEN1
SCHEMBL6606522 0.86 TACR1 (0.44) TACR1HCRTR2CYP2D6CFTRMEN1
SCHEMBL7101745 0.86 TACR1 (0.44) TACR1HCRTR2CFTRMAPTMEN1
SCHEMBL6618729 0.86 TACR1 (0.44) TACR1HCRTR2CFTRMAPTMEN1
SCHEMBL8664244 0.85 TACR1 (0.45) TACR1HCRTR2CYP2D6CFTRKDM1A
SCHEMBL6606866 0.85 TACR1 (0.45) TACR1HCRTR2CYP2D6CFTRKDM1A
SCHEMBL7600733 0.84 TACR1 (0.43) TACR1HCRTR2CYP2D6

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
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists WAKABAYASHI HIROAKI (JP) 2002-05-02 US disclosed
EP-1175417-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS Pfizer Products Inc. (US) 2002-01-30 EP 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
WO-2000068224-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS PFIZER PRODUCTS INC. (US) 2000-11-16 WO 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 4/4885HCRTR2 135/4885HTR1A 47/4885

“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.