SCHEMBL20165868

SCHEMBL20165868

O=C(O)c1ccc(OC2CCN(CCCF)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.61
ESR2 Q92731 1/20 0.56
AGTR2 P50052 1/20 0.56
CHRM2 P08172 1/20 0.52
CHRM3 P20309 1/20 0.52

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
SCHEMBL20165122 1.00 ESR1 (0.61) ESR1ESR2AGTR2CHRM2CHRM3
Hydrochloric Acid SCHEMBL29756830 0.99 ESR1 (0.60) ESR1ESR2AGTR2CHRM2CHRM3
SCHEMBL20165121 0.89 ESR1 (0.54) ESR1ESR2AGTR2CHRM2CHRM3
SCHEMBL29756809 0.89 HRH2 (0.56) ESR1ESR2AGTR2CHRM2CHRM3
SCHEMBL20165124 0.89 ESR1 (0.54) ESR1ESR2AGTR2CHRM2CHRM3
Hydrochloric Acid SCHEMBL29756701 0.88 ESR1 (0.53) ESR1ESR2AGTR2CHRM2CHRM3
SCHEMBL4237909 0.88 CHRM2 (0.52) ESR1ESR2AGTR2CHRM2CHRM3
SCHEMBL20179753 0.87 ESR1 (0.53) ESR1ESR2AGTR2
SCHEMBL20179622 0.87 ESR1 (0.53) ESR1ESR2AGTR2
SCHEMBL21724882 0.84 ESR1 (0.66) ESR1

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-20220204488-A1 Novel Substituted N-(3-Fluoropropyl)-Pyrrolidine Compounds, Processes for their Preparation and Therapeutic Uses Thereof SANOFI (FR) 2022-06-30 US disclosed
US-11149031-B2 Substituted N-(3-fluoropropyl)-pyrrolidine compounds, processes for their preparation and therapeutic uses thereof SANOFI (FR) 2021-10-19 US disclosed
US-20200361918-A1 NOVEL SUBSTITUTED N-(3-FLUOROPROPYL)-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI-AVENTIS RECHERCHE & DEVELOPPEMENT (FR) 2020-11-19 US disclosed
EP-3541809-A1 NOVEL SUBSTITUTED N-(3-FLUOROPROPYL)-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF Sanofi (FR) 2019-09-25 EP disclosed
WO-2018091153-A1 NOVEL SUBSTITUTED N-(3-FLUOROPROPYL)-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2018-05-24 WO disclosed
WO-2018091153-A1 NOVEL SUBSTITUTED N-(3-FLUOROPROPYL)-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2018-05-24 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-20200361918-A1 NOVEL SUBSTITUTED N-(3-FLUOROPROPYL)-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF ESR1, CYP19A1, ESR2 ESR1 1/4885ESR2 3/4885AGTR2 1320/4885
US-11149031-B2 Substituted N-(3-fluoropropyl)-pyrrolidine compounds, processes for their preparation and therapeutic uses thereof ESR1, CYP19A1, ESR2 ESR1 1/4885ESR2 3/4885AGTR2 1050/4885
US-20220204488-A1 Novel Substituted N-(3-Fluoropropyl)-Pyrrolidine Compounds, Processes for their Preparation and Therapeutic Uses Thereof ESR1, CYP19A1, GPER1 ESR1 1/4885ESR2 4/4885AGTR2 833/4885

“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.