SCHEMBL20179643

SCHEMBL20179643

CC(C)(C)C(=O)Oc1ccc2c(c1)OCCC2=O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.63
MAOB P27338 15/20 0.56
MAOA P21397 1/20 0.56
MAPT P10636 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.49
CYP2C9 P11712 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
SCHEMBL20165273 0.92 GRM5 (0.54) GRM5MAOBMAOAMAPTMEN1
SCHEMBL27762425 0.85 GRM5 (0.67) GRM5MAOBMAOAMAPTMEN1
SCHEMBL29196216 0.82 GRM5 (0.67) GRM5MAOBMAOAMAPTMEN1
SCHEMBL27762328 0.81 GRM5 (0.63) GRM5MAOBMAOAALDH1A1NPC1
SCHEMBL67621 0.78 MAOB (0.60) GRM5MAOBMAOAALDH1A1NPC1
Alcohol SCHEMBL8562852 0.78 GRM5 (0.59) GRM5MAOBMAOAALDH1A1NPC1
SCHEMBL15113862 0.77 GRM5 (0.46) GRM5MAOBMAOAMAPTMEN1
Cyclopropane SCHEMBL28516873 0.77 MAOB (0.59) GRM5MAOBMAOAALDH1A1NPC1
SCHEMBL1570340 0.77 MAOB (0.75) GRM5MAOBMAOAALDH1A1NPC1
SCHEMBL10064126 0.76 MAPT (0.60) GRM5MAOBMAOAMAPTMEN1

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 GRM5 768/4885MAOB 298/4885MAOA 196/4885
US-11149031-B2 Substituted N-(3-fluoropropyl)-pyrrolidine compounds, processes for their preparation and therapeutic uses thereof ESR1, CYP19A1, ESR2 GRM5 707/4885MAOB 181/4885MAOA 107/4885
US-20220204488-A1 Novel Substituted N-(3-Fluoropropyl)-Pyrrolidine Compounds, Processes for their Preparation and Therapeutic Uses Thereof ESR1, CYP19A1, GPER1 GRM5 532/4885MAOB 344/4885MAOA 223/4885

“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.