SCHEMBL20179706

SCHEMBL20179706

O=C(c1ccc(O[C@H]2CCN(CCCF)C2)cc1)C(Sc1cc(OCc2ccccc2)ccc1O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.44
ACACB O00763 1/20 0.42
MCHR1 Q99705 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
KMT2A Q03164 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
SCHEMBL20165109 1.00 ESR1 (0.44) ESR1ACACBMCHR1ALDH1A1KDM4E
SCHEMBL20165116 1.00 ESR1 (0.44) ESR1ACACBMCHR1ALDH1A1KDM4E
SCHEMBL29756909 0.90 ESR1 (0.46) ESR1
SCHEMBL20165043 0.83 ESR1 (0.48) ESR1ACACBMCHR1ALDH1A1KDM4E
SCHEMBL20179666 0.83 ESR1 (0.48) ESR1ACACBMCHR1ALDH1A1KDM4E
SCHEMBL20165040 0.83 ESR1 (0.48) ESR1ACACBMCHR1ALDH1A1KDM4E
SCHEMBL23475146 0.79 ESR1 (0.52) ESR1MCHR1ALDH1A1KDM4ELMNA
SCHEMBL27140298 0.79 ESR1 (0.52) ESR1MCHR1ALDH1A1KDM4ELMNA
SCHEMBL20165409 0.78 ESR1 (0.50) ESR1ALDH1A1KDM4ELMNA
SCHEMBL20165412 0.78 ESR1 (0.50) ESR1ALDH1A1KDM4ELMNA

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 4 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
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 1/4885ACACB 4084/4885MCHR1 3098/4885
US-11149031-B2 Substituted N-(3-fluoropropyl)-pyrrolidine compounds, processes for their preparation and therapeutic uses thereof ESR1, CYP19A1, ESR2 ESR1 1/4885ACACB 3985/4885MCHR1 2504/4885
US-20220204488-A1 Novel Substituted N-(3-Fluoropropyl)-Pyrrolidine Compounds, Processes for their Preparation and Therapeutic Uses Thereof ESR1, CYP19A1, GPER1 ESR1 1/4885ACACB 4216/4885MCHR1 2271/4885

“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.