SCHEMBL17515544

SCHEMBL17515544

O=C(c1n[nH]c2c1CCC2)N1C[C@@H]2CN(c3ccccc3C(F)(F)F)C[C@@H]2C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 11/20 0.48
GFER P55789 1/20 0.44
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
RIPK1 Q13546 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL17515545 0.98 RBP4 (0.48) RBP4GFERHCRTR1HCRTR2PLA2G1B
SCHEMBL16124088 0.90 RBP4 (0.47) RBP4GFERHCRTR1HCRTR2
SCHEMBL17518218 0.87 RBP4 (0.52) RBP4HCRTR1HCRTR2
SCHEMBL17518219 0.87 RBP4 (0.52) RBP4HCRTR1HCRTR2
SCHEMBL16124082 0.86 RBP4 (0.48) RBP4HCRTR1HCRTR2
SCHEMBL16124084 0.86 RBP4 (0.52) RBP4HCRTR1HCRTR2
SCHEMBL16124085 0.85 RBP4 (0.50) RBP4HCRTR1HCRTR2
SCHEMBL17518155 0.85 RBP4 (0.53) RBP4MAPK1
SCHEMBL17518284 0.85 RBP4 (0.61) RBP4
SCHEMBL16124089 0.85 RBP4 (0.53) RBP4MAPK1

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-20230241049-A1 RBP4 ANTAGONISTS FOR TREATMENT AND PREVENTION OF NON-ALCOHOLIC FATTY LIVER DISEASE AND GOUT THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-03 US disclosed
US-9944644-B2 Octahydropyrrolopyrroles their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-04-17 US disclosed
US-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-18 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-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS RBP4 4178/4885GFER 2181/4885HCRTR1 995/4885
US-20230241049-A1 RBP4 ANTAGONISTS FOR TREATMENT AND PREVENTION OF NON-ALCOHOLIC FATTY LIVER DISEASE AND GOUT RBP4, RBP1, FABP1 RBP4 1/4885GFER 2058/4885HCRTR1 2204/4885

“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.