SCHEMBL1989593

SCHEMBL1989593

O=C(O)C1=C(c2ccc(Cl)c(F)c2)CN(Cc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ACKR3 P25106 1/20 0.39
KMO O15229 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
CHRM4 P08173 2/20 0.39
POLB P06746 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CXCR3 P49682 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
SCHEMBL1989472 0.90 POLB (0.47) SIGMAR1CHRM4POLBKDM4EALDH1A1
SCHEMBL1974828 0.89 S1PR1 (0.49) HRH3SIGMAR1POLBS1PR1S1PR5
SCHEMBL1974749 0.82 SIGMAR1 (0.49) SIGMAR1POLBKDM4EMAPTALDH1A1
SCHEMBL12604006 0.81 SIGMAR1 (0.40) HRH3PPARGPPARASIGMAR1CHRM4
SCHEMBL1751581 0.81 HDAC4 (0.44) SIGMAR1CHRM4S1PR1S1PR5KDM4E
Water SCHEMBL2512481 0.81 SIGMAR1 (0.47) SIGMAR1POLBKDM4EMAPTALDH1A1
SCHEMBL3016371 0.80 POLB (0.47) SIGMAR1CHRM4POLBKDM4EMAPT
Hydrochloric Acid SCHEMBL4092844 0.77 SIGMAR1 (0.47) SIGMAR1S1PR1S1PR5KDM4ENPC1
SCHEMBL5777725 0.75 SIGMAR1 (0.54) SIGMAR1S1PR1S1PR5KDM4EALDH1A1
SCHEMBL3008719 0.72 MEN1 (0.46) SIGMAR1KDM4ERAB9AHTTCHRM5

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344161-B2 Process for the preparation of pyrollidine-3-carboxylic acids HOFFMANN-LA ROCHE INC. (US) 2013-01-01 US claimed
CN-102245570-A Process for the preparation of pyrollidine-3-carboxylic acids HOFFMANN LA ROCHE 2011-11-16 CN claimed
EP-2379500-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-10-26 EP claimed
WO-2010069793-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-24 WO claimed
US-20100152462-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS HOFFMANN-LA ROCHE, INC. 2010-06-17 US claimed
US-9346786-B2 Pyrrolidine compounds HOFFMANN-LA ROCHE INC. (US) 2016-05-24 US disclosed
US-9346786-B2 Pyrrolidine compounds HOFFMANN-LA ROCHE INC. (US) 2016-05-24 US disclosed
US-9346786-B2 Pyrrolidine compounds HOFFMANN-LA ROCHE INC. (US) 2016-05-24 US disclosed
EP-2513084-B1 PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
EP-2513084-B1 PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
US-20130203728-A1 PYRROLIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-08-08 US disclosed
US-20130203728-A1 PYRROLIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-08-08 US disclosed
US-20110152233-A1 PYRROLIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 US disclosed
US-20110152233-A1 PYRROLIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 US disclosed
WO-2011073160-A1 PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
WO-2010069793-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-24 WO disclosed
WO-2010069793-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-24 WO disclosed
US-20100152462-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
US-20100152462-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
US-20100152462-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS HOFFMANN-LA ROCHE, INC. 2010-06-17 US 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-20130203728-A1 PYRROLIDINE COMPOUNDS SLC6A3, OPRL1, OPRK1 HRH3 235/4885PPARG 2495/4885PPARA 2359/4885
US-20100152462-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS PYCR1, PYGB, PCCA HRH3 543/4885PPARG 1100/4885PPARA 916/4885
US-20110152233-A1 PYRROLIDINE COMPOUNDS SLC6A3, OPRL1, OPRK1 HRH3 235/4885PPARG 2495/4885PPARA 2359/4885

“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.