SCHEMBL20179666

SCHEMBL20179666

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.48
ACACB O00763 1/20 0.47
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ESR2 Q92731 1/20 0.42
BCHE P06276 1/20 0.42
MCHR1 Q99705 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL20165043 1.00 ESR1 (0.48) ESR1ACACBKDM4EALDH1A1LMNA
SCHEMBL20165040 1.00 ESR1 (0.48) ESR1ACACBKDM4EALDH1A1LMNA
SCHEMBL20179696 0.86 MCHR1 (0.55) ACACBKDM4EALDH1A1LMNAMCHR1
SCHEMBL23475146 0.85 ESR1 (0.52) ESR1KDM4EALDH1A1LMNACHRM2
SCHEMBL27140298 0.85 ESR1 (0.52) ESR1KDM4EALDH1A1LMNACHRM2
SCHEMBL20165412 0.84 ESR1 (0.50) ESR1KDM4EALDH1A1LMNACHRM2
SCHEMBL20165409 0.84 ESR1 (0.50) ESR1KDM4EALDH1A1LMNACHRM2
SCHEMBL20179706 0.83 ESR1 (0.44) ESR1ACACBKDM4EALDH1A1LMNA
SCHEMBL20165116 0.83 ESR1 (0.44) ESR1ACACBKDM4EALDH1A1LMNA
SCHEMBL20165109 0.83 ESR1 (0.44) ESR1ACACBKDM4EALDH1A1LMNA

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 4084/4885KDM4E 728/4885
US-11149031-B2 Substituted N-(3-fluoropropyl)-pyrrolidine compounds, processes for their preparation and therapeutic uses thereof ESR1, CYP19A1, ESR2 ESR1 1/4885ACACB 3985/4885KDM4E 933/4885
US-20220204488-A1 Novel Substituted N-(3-Fluoropropyl)-Pyrrolidine Compounds, Processes for their Preparation and Therapeutic Uses Thereof ESR1, CYP19A1, GPER1 ESR1 1/4885ACACB 4216/4885KDM4E 810/4885

“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.