SCHEMBL20165074

SCHEMBL20165074

COc1cccc(SCCCC(=O)O)c1.[NaH]

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
MTNR1A P48039 5/20 0.59
MTNR1B P49286 5/20 0.59
LMNA P02545 2/20 0.53
CYP1A2 P05177 2/20 0.51
CYP2E1 P05181 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2B6 P20813 1/20 0.51
CYP2C19 P33261 1/20 0.51
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
THRB P10828 1/20 0.49
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
EGFR P00533 1/20 0.46
ERBB3 P21860 1/20 0.46

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
SCHEMBL4405658 0.99 ALDH1A1 (0.61) ALDH1A1MTNR1AMTNR1BLMNACYP1A2
SCHEMBL4271362 0.93 MTNR1A (0.58) ALDH1A1MTNR1AMTNR1BLMNACYP1A2
SCHEMBL4267817 0.93 MTNR1A (0.58) ALDH1A1MTNR1AMTNR1BLMNACYP1A2
SCHEMBL4272836 0.93 MTNR1A (0.58) ALDH1A1MTNR1AMTNR1BLMNACYP1A2
SCHEMBL8473021 0.90 MTNR1A (0.63) ALDH1A1MTNR1AMTNR1BLMNACYP1A2
SCHEMBL20179734 0.86 MTNR1A (0.63) ALDH1A1MTNR1AMTNR1BLMNATHRB
SCHEMBL29756921 0.84 MTNR1A (0.58) ALDH1A1MTNR1AMTNR1BLMNATHRB
SCHEMBL10885740 0.84 ALDH1A1 (0.58) ALDH1A1MTNR1AMTNR1BLMNAFFAR1
SCHEMBL3169884 0.82 MTNR1B (0.55) ALDH1A1MTNR1AMTNR1BLMNATHRB
SCHEMBL20544602 0.81 MTNR1A (0.60) ALDH1A1MTNR1AMTNR1BLMNATHRB

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 5 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

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 ALDH1A1 1024/4885MTNR1A 205/4885MTNR1B 424/4885
US-11149031-B2 Substituted N-(3-fluoropropyl)-pyrrolidine compounds, processes for their preparation and therapeutic uses thereof ESR1, CYP19A1, ESR2 ALDH1A1 835/4885MTNR1A 135/4885MTNR1B 311/4885
US-20220204488-A1 Novel Substituted N-(3-Fluoropropyl)-Pyrrolidine Compounds, Processes for their Preparation and Therapeutic Uses Thereof ESR1, CYP19A1, GPER1 ALDH1A1 872/4885MTNR1A 154/4885MTNR1B 319/4885

“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.