SCHEMBL473561

SCHEMBL473561

N[C@H]1CC[C@H](NC(=O)CO)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 13/20 0.50
SMN1; SMN2 Q16637 1/20 0.42
CCR2 P41597 1/20 0.40
KMT2A Q03164 2/20 0.39
EPHX1 P07099 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL473560 1.00 SMYD3 (0.50) SMYD3SMN1; SMN2CCR2KMT2AEPHX1
Hydrochloric Acid SCHEMBL13275803 0.98 SMYD3 (0.49) SMYD3SMN1; SMN2CCR2KMT2AEPHX1
Hydrochloric Acid SCHEMBL13275804 0.98 SMYD3 (0.49) SMYD3SMN1; SMN2CCR2KMT2AEPHX1
SCHEMBL2093857 0.89
SCHEMBL19706964 0.81 SMYD3 (0.49) SMYD3SMN1; SMN2KMT2ALMNA
SCHEMBL3402825 0.81 SMYD3 (0.57) SMYD3SMN1; SMN2CCR2
SCHEMBL14391779 0.81 SMYD3 (0.57) SMYD3SMN1; SMN2CCR2
SCHEMBL23573599 0.80 ALDH1A1 (0.44) SMYD3SMN1; SMN2KMT2AEPHX1HPGD
SCHEMBL23573598 0.80 ALDH1A1 (0.44) SMYD3SMN1; SMN2KMT2AEPHX1HPGD
SCHEMBL2096797 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220106324-A1 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-04-07 US disclosed
EP-2684880-B1 DISPIROPYRROLIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2018-02-28 EP disclosed
US-8962622-B2 Benzotriazole kinase modulators ROCHE PALO ALTO LLC (US) 2015-02-24 US disclosed
US-20140121196-A1 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-01 US disclosed
US-20140121196-A1 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-01 US disclosed
EP-2684880-A1 DISPIROPYRROLIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-01-15 EP disclosed
US-8629133-B2 Dispiropyrrolidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-01-14 US disclosed
US-8629133-B2 Dispiropyrrolidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-01-14 US disclosed
US-20130165424-A9 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-27 US disclosed
US-20130165424-A9 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-27 US disclosed
US-20120264738-A1 DISPIROPYRROLIDINE DERIVATIVES SUGIMOTO YUUICHI (JP) 2012-10-18 US disclosed
US-20120264738-A1 DISPIROPYRROLIDINE DERIVATIVES SUGIMOTO YUUICHI (JP) 2012-10-18 US disclosed
WO-2012121361-A1 DISPIROPYRROLIDINE DERIVATIVE 第一三共株式会社 (JP) 2012-09-13 WO disclosed
EP-2066319-B1 BENZOTRIAZOLE KINASE MODULATORS HOFFMANN LA ROCHE (CH) 2012-02-01 EP disclosed
US-20080103142-A1 Benzotriazole kinase modulators ROCHE PALO ALTO LLC 2008-05-01 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 (5 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-20120264738-A1 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TP53BP1 SMYD3 2526/4885SMN1; SMN2 4677/4885CCR2 1459/4885
US-20140121196-A1 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TPD52L2 SMYD3 2275/4885SMN1; SMN2 4670/4885CCR2 1595/4885
US-20130165424-A9 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TP53BP1 SMYD3 2526/4885SMN1; SMN2 4677/4885CCR2 1459/4885
US-20220106324-A1 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TP53BP1 SMYD3 2526/4885SMN1; SMN2 4677/4885CCR2 1459/4885
US-20080103142-A1 Benzotriazole kinase modulators CDK1, CDK3, MAPK1 SMYD3 1933/4885SMN1; SMN2 2712/4885CCR2 2276/4885

“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.