SCHEMBL20179670

SCHEMBL20179670

O=C1CCCOc2c1ccc(O)c2Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.44
MAOA P21397 4/20 0.40
MAOB P27338 4/20 0.40
PRKCI P41743 1/20 0.40
HSD17B1 P14061 3/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
ALPI P09923 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
MCL1 Q07820 1/20 0.33
ATM Q13315 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL29756714 1.00 PSMB5 (0.44) PSMB5MAOAMAOBPRKCIHSD17B1
SCHEMBL20554838 0.90 MAOB (0.47) PSMB5MAOAMAOBPRKCIHSD17B1
SCHEMBL20165162 0.81 NOTUM (0.39) PSMB5MAOAMAOBPRKCICYP2A6
SCHEMBL29756874 0.81 ESR1 (0.49) PSMB5MAOAMAOBPRKCIHSD17B1
SCHEMBL20165416 0.81 ESR1 (0.49) PSMB5MAOAMAOBPRKCIHSD17B1
SCHEMBL20165267 0.81 PSMB5 (0.44) PSMB5MAOAMAOBPRKCIHSD17B1
SCHEMBL1429265 0.80 PSMB5 (0.68) PSMB5MAOAMAOBKDM4EPOLB
SCHEMBL13035911 0.76 CYP3A4 (0.34) CYP3A4MAPK1
SCHEMBL20165395 0.73 LTB4R (0.35) KDM4ECYP3A4LTB4RLTB4R2
SCHEMBL24362691 0.73 MAOA (0.44) PSMB5MAOAMAOBPRKCIHSD17B1

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 PSMB5 357/4885MAOA 196/4885MAOB 298/4885
US-11149031-B2 Substituted N-(3-fluoropropyl)-pyrrolidine compounds, processes for their preparation and therapeutic uses thereof ESR1, CYP19A1, ESR2 PSMB5 477/4885MAOA 107/4885MAOB 181/4885
US-20220204488-A1 Novel Substituted N-(3-Fluoropropyl)-Pyrrolidine Compounds, Processes for their Preparation and Therapeutic Uses Thereof ESR1, CYP19A1, GPER1 PSMB5 332/4885MAOA 223/4885MAOB 344/4885

“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.