SCHEMBL1989472

SCHEMBL1989472

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
SIGMAR1 Q99720 3/20 0.45
CHRM4 P08173 2/20 0.40
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
GRIN2B Q13224 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
HDAC4 P56524 1/20 0.37
KCNH2 Q12809 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
SCHEMBL1989593 0.90 HRH3 (0.42) POLBSIGMAR1CHRM4ALDH1A1HTT
SCHEMBL3016371 0.89 POLB (0.47) POLBSIGMAR1CHRM4ALDH1A1HTT
SCHEMBL1974749 0.84 SIGMAR1 (0.49) POLBSIGMAR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1751581 0.83 HDAC4 (0.44) SIGMAR1CHRM4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1974828 0.83 S1PR1 (0.49) POLBSIGMAR1HTTSMN1; SMN2LMNA
Water SCHEMBL2512481 0.83 SIGMAR1 (0.47) POLBSIGMAR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2038491 0.80 SIGMAR1 (0.40) POLBSIGMAR1CHRM4ALDH1A1HTT
SCHEMBL3003772 0.78 CHRM5 (0.48) POLBCHRM4ALDH1A1LMNACHRM2
SCHEMBL5777725 0.77 SIGMAR1 (0.54) SIGMAR1ALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL17474564 0.76 CHRM5 (0.59) CHRM4LMNACHRM2

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 28 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
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
CN-102656157-B Pyrrolidine derivatives as NK-3 receptor antagonists HOFFMANN LA ROCHE 2015-04-29 CN 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
WO-2011073160-A1 PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
WO-2011073160-A1 PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20110152233-A1 PYRROLIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 US 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 POLB 1575/4885SIGMAR1 174/4885CHRM4 291/4885
US-20100152462-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS PYCR1, PYGB, PCCA POLB 1883/4885SIGMAR1 817/4885CHRM4 1102/4885
US-20110152233-A1 PYRROLIDINE COMPOUNDS SLC6A3, OPRL1, OPRK1 POLB 1575/4885SIGMAR1 174/4885CHRM4 291/4885

“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.