SCHEMBL20179672

SCHEMBL20179672

COc1ccc2c(c1)C(c1ccc(O[C@H]3CCNC3)cc1)=C(Br)CC2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.40
HTR2B P41595 3/20 0.40
HTR2A P28223 2/20 0.40
PRKCZ Q05513 3/20 0.39
ACVR1B P36896 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVR1 Q04771 1/20 0.38
KCNH2 Q12809 1/20 0.38
ESR1 P03372 1/20 0.37

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
SCHEMBL20179676 1.00 HTR2C (0.40) HTR2CHTR2BHTR2APRKCZACVR1B
Hydrochloric Acid SCHEMBL29756772 0.99 HTR2C (0.39) HTR2CHTR2BHTR2APRKCZACVR1B
Hydrochloric Acid SCHEMBL20165096 0.99 HTR2C (0.39) HTR2CHTR2BHTR2APRKCZACVR1B
Hydrochloric Acid SCHEMBL20165098 0.99 HTR2C (0.39) HTR2CHTR2BHTR2APRKCZACVR1B
SCHEMBL20165126 0.87 ESR1 (0.47) HTR2CHTR2BPRKCZESR1
SCHEMBL20165130 0.87 ESR1 (0.47) HTR2CHTR2BPRKCZESR1
SCHEMBL29756847 0.87 ESR1 (0.47) HTR2CHTR2BPRKCZESR1
SCHEMBL30624598 0.78 PRKCZ (0.41) HTR2CHTR2BPRKCZ
SCHEMBL26187437 0.78 PRKCZ (0.41) HTR2CHTR2BPRKCZ
SCHEMBL26187427 0.78 PRKCZ (0.41) HTR2CHTR2BPRKCZ

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 HTR2C 603/4885HTR2B 771/4885HTR2A 420/4885
US-11149031-B2 Substituted N-(3-fluoropropyl)-pyrrolidine compounds, processes for their preparation and therapeutic uses thereof ESR1, CYP19A1, ESR2 HTR2C 487/4885HTR2B 593/4885HTR2A 290/4885
US-20220204488-A1 Novel Substituted N-(3-Fluoropropyl)-Pyrrolidine Compounds, Processes for their Preparation and Therapeutic Uses Thereof ESR1, CYP19A1, GPER1 HTR2C 478/4885HTR2B 653/4885HTR2A 384/4885

“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.