SCHEMBL3043575

SCHEMBL3043575

C=CCN[C@@H](CC)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
FAAH O00519 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4970112 1.00 TSHR (0.34) TSHRALDH1A1FAAHSMN1; SMN2MAPT
SCHEMBL1073428 0.83 FAAH (0.32) TSHRALDH1A1FAAHKDM4E
SCHEMBL614517 0.82 ALDH1A1 (0.36) TSHRALDH1A1FAAHSMN1; SMN2MAPT
SCHEMBL8350972 0.80 ECE1 (0.36) TSHRALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL7775465 0.78 TSHR (0.33) TSHRALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL7774673 0.78 CA1 (0.36) ALDH1A1FAAHCA1CA2KMT2A
SCHEMBL13136715 0.78
SCHEMBL10164161 0.78
SCHEMBL10782171 0.77 FAAH (0.33) TSHRALDH1A1FAAHSMN1; SMN2MAPT
SCHEMBL7772608 0.77 ALDH1A1 (0.43) ALDH1A1FAAHSMN1; SMN2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US claimed
EP-2152262-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB Pharma, S.A. (BE) 2010-02-17 EP claimed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO claimed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
EP-2152262-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB Pharma, S.A. (BE) 2010-02-17 EP disclosed
US-7612215-B2 Process for preparing 2-oxo-1-pyrrolidine derivatives by intramolecular allylation UCB PHARMA, S.A. (BE) 2009-11-03 US disclosed
WO-2008132139-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
WO-2008132139-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
US-20080125598-A1 Process for Preparing 2-Oxo-1-Pyrrolidine Derivatives by Intramolecular Allylation UCB, S.A. (BE) 2008-05-29 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 (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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders CNR2, CNR1, SLC18A2 TSHR 1696/4885ALDH1A1 1186/4885FAAH 123/4885
US-20080125598-A1 Process for Preparing 2-Oxo-1-Pyrrolidine Derivatives by Intramolecular Allylation PYCR1, AZI2, PPOX TSHR 2945/4885ALDH1A1 1457/4885FAAH 4391/4885

“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.