SCHEMBL20827737

SCHEMBL20827737

O=C(NCC1CCCCN1S(=O)(=O)c1ccccc1-c1ccccc1)c1cccc2occc12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.55
HCRTR2 O43614 12/20 0.55
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
RAB9A P51151 1/20 0.41

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
SCHEMBL1398801 0.94 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL1398687 0.94 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL1398708 0.94 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL1398584 0.81 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL1398546 0.79 HCRTR1 (0.45) HCRTR1HCRTR2RAB9A
SCHEMBL1398698 0.78 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1398628 0.78 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1398579 0.78 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1398554 0.77 HCRTR1 (0.43) HCRTR1HCRTR2OPRM1
SCHEMBL6820366 0.73 HCRTR1 (0.59) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894042-B2 Methods and pharmaceutical compositions for the treatment of cancer Inserm (Institut National de la Santa et de la Recherche Medicale) (FR) 2021-01-19 US disclosed
US-20190151304-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATORY INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-05-23 US disclosed
US-20190083508-A1 USE OF OX1R ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-03-21 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 (3 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-20190151304-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATORY HCRTR1, HCRTR2, OXTR HCRTR1 1/4885HCRTR2 2/4885OPRM1 198/4885
US-10894042-B2 Methods and pharmaceutical compositions for the treatment of cancer OXTR, OGFR, OXGR1 HCRTR1 18/4885HCRTR2 14/4885OPRM1 108/4885
US-20190083508-A1 USE OF OX1R ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES GPR180, OXGR1, MLNR HCRTR1 22/4885HCRTR2 17/4885OPRM1 321/4885

“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.