SCHEMBL1189348

SCHEMBL1189348

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ HTR2C P28335 2/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HTT P42858 1/20 0.47
▸ PDK1 Q15118 1/20 0.46
▸ PDK2 Q15119 1/20 0.46
▸ PDK3 Q15120 1/20 0.46
▸ PDK4 Q16654 1/20 0.46
▸ CACNA1G O43497 1/20 0.46
▸ CACNA1H O95180 1/20 0.46
▸ CACNA1I Q9P0X4 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GRIN2B Q13224 3/20 0.46
▸ CTSK P43235 1/20 0.45
▸ MAPT P10636 1/20 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
SCHEMBL17619476 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL17619475 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL10130029 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL17610275 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL15218647 0.91 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL16472423 0.91 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL15883697 0.90 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL30232243 0.90 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL2621382 0.90 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL2621378 0.90 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AHTR2CMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3594202-B1 SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-08-11 — — EP disclosed
US-11034700-B2 Substituted pyrrolidine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-06-15 — — US disclosed
US-20200392149-A1 SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-17 — — US disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 — — US disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 — — US disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 — — US disclosed
EP-3194377-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2017-07-26 — — EP disclosed
EP-2686321-B1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL MYERS SQUIBB CO (US) 2016-11-16 — — EP disclosed
US-9428511-B2 Imidazopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-30 — — US disclosed
US-9428511-B2 Imidazopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-30 — — US disclosed
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 — — US disclosed
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2013-02-21 — — US disclosed
WO-2012125893-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 — — WO disclosed
US-20120035154-A1 Modulators of Cellular Adhesion SARcode Bioscience, Inc. (US) 2012-02-09 — — US disclosed
US-8071617-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2011-12-06 — — US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 — — US disclosed
US-7989626-B2 Modulators of cellular adhesion SAR code Corporation (US) 2011-08-02 — — US disclosed
US-20110124669-A1 Modulators of Cellular Adhesion SARCODE CORPORATION (US) 2011-05-26 — — US disclosed
US-20110124625-A1 Modulators of Cellular Adhesion SARCODE CORPORATION (US) 2011-05-26 — — US disclosed
US-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 — — 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 (9 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-20110218182-A1 CHEMICAL COMPOUNDS 251 PIM1, PIM3, PIM2 SMN1; SMN2 3689/4885NPC1 1533/4885RAB9A 3350/4885
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF HCCS, TP53, NME2 SMN1; SMN2 2746/4885NPC1 2481/4885RAB9A 1803/4885
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DPEP1, DHPS SMN1; SMN2 3860/4885NPC1 3081/4885RAB9A 2907/4885
US-11034700-B2 Substituted pyrrolidine compound and use thereof HCRTR2, HCRTR1, CRHR2 SMN1; SMN2 1177/4885NPC1 837/4885RAB9A 2513/4885
US-20110124625-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 SMN1; SMN2 2217/4885NPC1 2049/4885RAB9A 1028/4885
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 SMN1; SMN2 4827/4885NPC1 4824/4885RAB9A 2466/4885
US-20110124669-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 SMN1; SMN2 2217/4885NPC1 2049/4885RAB9A 1028/4885
US-20120035154-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 SMN1; SMN2 2217/4885NPC1 2049/4885RAB9A 1028/4885
US-20200392149-A1 SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF HCRTR2, HCRTR1, CRHR2 SMN1; SMN2 1177/4885NPC1 837/4885RAB9A 2513/4885

“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.

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