SCHEMBL3185673

SCHEMBL3185673

O=C(O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTR2C P28335 1/20 0.47
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
GRIN2B Q13224 5/20 0.44
HTT P42858 1/20 0.44
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44
CYP2D6 P10635 2/20 0.44

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
SCHEMBL1119158 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL31525951 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3195518 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL20361649 0.91 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL70762 0.90 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2621382 0.90 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL70761 0.90 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2621378 0.90 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL17076715 0.89 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL15183635 0.89 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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
EP-1992613-B1 PROCESS FOR PRODUCTION OF 3,4-DISUBSTITUTED PYRROLIDINE DERIVATIVE AND INTERMEDIATE FOR THE PRODUCTION KYORIN SEIYAKU KK (JP) 2013-01-30 EP disclosed
US-8084622-B2 stereoselective asymmetric hydrogenation of 1-protected-4-alkoxycarbonyl-3-oxopyrrolidine, followed by ester hydrolysis, followed by amidation with cyclopropylamine; production of (3R,4S)-3-cyclopropylaminomethyl-4-fluoropyrrolidine useful as an intermediate to novel antibiotics KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-12-27 US disclosed
US-8084622-B2 stereoselective asymmetric hydrogenation of 1-protected-4-alkoxycarbonyl-3-oxopyrrolidine, followed by ester hydrolysis, followed by amidation with cyclopropylamine; production of (3R,4S)-3-cyclopropylaminomethyl-4-fluoropyrrolidine useful as an intermediate to novel antibiotics KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-12-27 US disclosed
US-8084622-B2 stereoselective asymmetric hydrogenation of 1-protected-4-alkoxycarbonyl-3-oxopyrrolidine, followed by ester hydrolysis, followed by amidation with cyclopropylamine; production of (3R,4S)-3-cyclopropylaminomethyl-4-fluoropyrrolidine useful as an intermediate to novel antibiotics KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-12-27 US disclosed
US-20100056805-A1 Process for producing 3,4-disubstituted pyrrolidine derivative and production intermediate thereof GOTOH TAKAYUKI 2010-03-04 US disclosed
US-20100056805-A1 Process for producing 3,4-disubstituted pyrrolidine derivative and production intermediate thereof GOTOH TAKAYUKI 2010-03-04 US disclosed
US-20100056805-A1 Process for producing 3,4-disubstituted pyrrolidine derivative and production intermediate thereof GOTOH TAKAYUKI 2010-03-04 US disclosed
US-7667049-B2 Process for producing 3,4-disubstituted pyrrolidine derivative and production intermediate thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-02-23 US disclosed
US-7667049-B2 Process for producing 3,4-disubstituted pyrrolidine derivative and production intermediate thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-02-23 US disclosed
US-7667049-B2 Process for producing 3,4-disubstituted pyrrolidine derivative and production intermediate thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-02-23 US disclosed
US-20090023935-A1 Process for Producing 3,4-Disubstituted Pyrrolidine Derivative and Production Intermediate Thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-01-22 US disclosed
US-20090023935-A1 Process for Producing 3,4-Disubstituted Pyrrolidine Derivative and Production Intermediate Thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-01-22 US disclosed
US-20090023935-A1 Process for Producing 3,4-Disubstituted Pyrrolidine Derivative and Production Intermediate Thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-01-22 US disclosed
EP-1992613-A1 PROCESS FOR PRODUCTION OF 3,4-DISUBSTITUTED PYRROLIDINE DERIVATIVE AND INTERMEDIATE FOR THE PRODUCTION Kyorin Pharmaceutical Co., Ltd. (JP) 2008-11-19 EP 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 (2 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-20090023935-A1 Process for Producing 3,4-Disubstituted Pyrrolidine Derivative and Production Intermediate Thereof HPD, DHPS, HAAO SMN1; SMN2 4424/4885NPC1 3882/4885RAB9A 2365/4885
US-20100056805-A1 Process for producing 3,4-disubstituted pyrrolidine derivative and production intermediate thereof HPD, DHPS, HAAO SMN1; SMN2 4424/4885NPC1 3882/4885RAB9A 2365/4885

“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.