SCHEMBL16124182

SCHEMBL16124182

O=C(c1cccnn1)N1C[C@@H]2CN(c3ccccc3C(F)(F)F)C[C@@H]2C1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.56
HCRTR1 O43613 9/20 0.47
HCRTR2 O43614 9/20 0.47
TRPV1 Q8NER1 4/20 0.42
HSD11B1 P28845 1/20 0.41
AKR1C3 P42330 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL16124187 0.81 RBP4 (0.57) RBP4HCRTR1HCRTR2TRPV1HSD11B1
SCHEMBL17454227 0.81 RBP4 (0.58) RBP4
SCHEMBL17518290 0.81 RBP4 (0.55) RBP4HCRTR1HCRTR2TRPV1AKR1C3
SCHEMBL17454226 0.81 RBP4 (0.58) RBP4
SCHEMBL16123861 0.81 RBP4 (0.55) RBP4HCRTR1HCRTR2TRPV1CHRNB2
SCHEMBL16127288 0.81 RBP4 (0.58) RBP4
SCHEMBL16127179 0.81 RBP4 (0.58) RBP4
SCHEMBL1394196 0.78 RBP4 (0.57) RBP4HCRTR1HCRTR2TRPV1AKR1C3
SCHEMBL17515569 0.77 RBP4 (0.58) RBP4HCRTR1HCRTR2TRPV1AKR1C3
SCHEMBL16124179 0.76 RBP4 (0.52) RBP4HCRTR1HCRTR2TRPV1HSD11B1

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 10 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-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-10787453-B2 Octahydropyrrolopyrroles their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-09-29 US disclosed
WO-2020028723-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) 2020-02-06 WO 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-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
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
WO-2014151936-A9 OCTAHYDROPYRROLOPYRROLES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-06-25 WO disclosed
WO-2014151936-A1 OCTAHYDROPYRROLOPYRROLES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-09-25 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 (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-20160046632-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS RBP4 4178/4885HCRTR1 995/4885HCRTR2 517/4885
US-20230241049-A1 RBP4 ANTAGONISTS FOR TREATMENT AND PREVENTION OF NON-ALCOHOLIC FATTY LIVER DISEASE AND GOUT RBP4, RBP1, FABP1 RBP4 1/4885HCRTR1 2204/4885HCRTR2 1872/4885
US-10787453-B2 Octahydropyrrolopyrroles their preparation and use QDPR, DPYD, DHPS RBP4 4178/4885HCRTR1 995/4885HCRTR2 517/4885

“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.