SCHEMBL11965447

SCHEMBL11965447

O=Cc1ccc(OCC(=O)N2CC[C@H](Oc3ccccc3C(F)(F)F)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SCD O00767 8/20 0.46
EPHX2 P34913 1/20 0.45
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2819255 0.88 ALDH1A1 (0.49) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL2817668 0.88 ALDH1A1 (0.49) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL2817672 0.88 ALDH1A1 (0.49) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL19703192 0.86 MEN1 (0.48) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL19703191 0.86 ALDH1A1 (0.48) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL19703193 0.86 MEN1 (0.48) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL19703355 0.82 EPHX2 (0.53) KDM4EMAPTSCDEPHX2TRPA1
SCHEMBL19703353 0.82 EPHX2 (0.53) KDM4EMAPTSCDEPHX2TRPA1
SCHEMBL19702748 0.81 MAPT (0.48) ALDH1A1KDM4EGAAMAPTRAB9A
SCHEMBL19703018 0.78 SCD (0.42) SCDEPHX2TRPA1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200306248-A1 FORMULATIONS FOR SUBSTITUTED 3-PYRROLIDINES, COMPOSITIONS CONTAINING, AND USES OF, SAME GDD THERAPEUTICS, LLC (US) 2020-10-01 US disclosed
WO-2017214201-A1 FORMULATIONS FOR SUBSTITUTED 3-PYRROLIDINES, COMPOSITIONS CONTAINING, AND USES OF, SAME THESAN PHARMACEUTICALS, INC. (US) 2017-12-14 WO disclosed
US-8980936-B2 Phenoxy-pyrrolidine derivative and its use and compositions THESAN PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-8980936-B2 Phenoxy-pyrrolidine derivative and its use and compositions THESAN PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-20140045911-A1 Phenoxy-Pyrrolidine Derivative and Its Use and Compositions THESAN PHARMACEUTICALS, INC. (US) 2014-02-13 US disclosed
US-20140045911-A1 Phenoxy-Pyrrolidine Derivative and Its Use and Compositions THESAN PHARMACEUTICALS, INC. (US) 2014-02-13 US disclosed
US-8524761-B2 Phenoxy-pyrrolidine derivative and its use and compositions MEDICIS PHARMACEUTICAL CORPORATION (US) 2013-09-03 US disclosed
US-8524761-B2 Phenoxy-pyrrolidine derivative and its use and compositions MEDICIS PHARMACEUTICAL CORPORATION (US) 2013-09-03 US disclosed
US-20120277280-A1 PHENOXY-PYRROLIDINE DERIVATIVE AND ITS USE AND COMPOSITIONS MEDICIS PHARMACEUTICAL CORPORATION (US) 2012-11-01 US disclosed
US-20120277280-A1 PHENOXY-PYRROLIDINE DERIVATIVE AND ITS USE AND COMPOSITIONS MEDICIS PHARMACEUTICAL CORPORATION (US) 2012-11-01 US disclosed
US-8242286-B2 Phenoxy-pyrrolidine derivative and its use and compositions MEDICIS PHARMACEUTICAL CORPORATION (US) 2012-08-14 US disclosed
US-8242286-B2 Phenoxy-pyrrolidine derivative and its use and compositions MEDICIS PHARMACEUTICAL CORPORATION (US) 2012-08-14 US disclosed
US-20100247471-A1 PHENOXY-PYRROLIDINE DERIVATIVE AND ITS USE AND COMPOSITIONS GRACEWAY PHARMACEUTICALS, LLC (US) 2010-09-30 US disclosed
US-20100247471-A1 PHENOXY-PYRROLIDINE DERIVATIVE AND ITS USE AND COMPOSITIONS GRACEWAY PHARMACEUTICALS, LLC (US) 2010-09-30 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 (4 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-20140045911-A1 Phenoxy-Pyrrolidine Derivative and Its Use and Compositions SCD, SCD5, FADS2 ALDH1A1 1401/4885KDM4E 74/4885GAA 889/4885
US-20100247471-A1 PHENOXY-PYRROLIDINE DERIVATIVE AND ITS USE AND COMPOSITIONS SCD, SCD5, FADS2 ALDH1A1 1401/4885KDM4E 74/4885GAA 889/4885
US-20200306248-A1 FORMULATIONS FOR SUBSTITUTED 3-PYRROLIDINES, COMPOSITIONS CONTAINING, AND USES OF, SAME SLC7A1, ABCG2, SLC46A1 ALDH1A1 931/4885KDM4E 2352/4885GAA 108/4885
US-20120277280-A1 PHENOXY-PYRROLIDINE DERIVATIVE AND ITS USE AND COMPOSITIONS SCD, SCD5, FADS2 ALDH1A1 1401/4885KDM4E 74/4885GAA 889/4885

“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.