SCHEMBL10205014

SCHEMBL10205014

CC(C)(C)N1CCC(C(N)=O)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
ATM Q13315 1/20 0.44
GAA P10253 1/20 0.41
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 1/20 0.38
BCHE P06276 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.36
CHRM1 P11229 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL13212941 1.00 SMN1; SMN2 (0.46) SMN1; SMN2ATMGAAALDH1A1MAPK1
SCHEMBL13212940 1.00 SMN1; SMN2 (0.46) SMN1; SMN2ATMGAAALDH1A1MAPK1
SCHEMBL8258796 0.89 ALDH1A1 (0.46) SMN1; SMN2ATMGAAALDH1A1MAPK1
SCHEMBL10205107 0.88 SMN1; SMN2 (0.53) SMN1; SMN2ATMGAAALDH1A1POLB
SCHEMBL14805854 0.83 ATM (0.55) SMN1; SMN2ATMGAAALDH1A1MAPK1
SCHEMBL13515726 0.82 SMN1; SMN2 (0.49) SMN1; SMN2GAAALDH1A1MAPK1BCHE
SCHEMBL25474851 0.82 ATM (0.37) SMN1; SMN2ATMLMNAPOLB
SCHEMBL15188004 0.82 LMNA (0.46) ATMALDH1A1LMNAPOLB
SCHEMBL15504586 0.82 ATM (0.37) SMN1; SMN2ATMLMNAPOLB
SCHEMBL11977462 0.82 LMNA (0.46) ATMALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11130741-B2 Anti-infective heterocyclic compounds and uses thereof BIOIMICS AB (SE) 2021-09-28 US disclosed
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 US disclosed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
US-20190233384-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2019-08-01 US disclosed
US-20180194718-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-12 US disclosed
US-20180194718-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-12 US disclosed
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 US disclosed
US-9840460-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-12-12 US disclosed
US-9840460-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-12-12 US disclosed
US-20170327459-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-11-16 US disclosed
US-8901169-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-12-02 US disclosed
US-8901169-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-12-02 US disclosed
US-20140256702-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2014-09-11 US disclosed
US-20140256702-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2014-09-11 US disclosed
US-20140066426-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES GRUENENTHAL GMBH (DE) 2014-03-06 US disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 US disclosed
US-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
EP-2141167-A1 Process for synthesizing carbapenem using raney nickel ACS DOBFAR S.p.A. (IT) 2010-01-06 EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 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 (13 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 SMN1; SMN2 4210/4885ATM 3544/4885GAA 611/4885
US-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 SMN1; SMN2 3075/4885ATM 2788/4885GAA 1094/4885
US-20140256702-A1 NEPRILYSIN INHIBITORS MME, REN, ACE SMN1; SMN2 920/4885ATM 4839/4885GAA 188/4885
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B SMN1; SMN2 3895/4885ATM 2385/4885GAA 85/4885
US-20190233384-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF ELANE, MPO, NISCH SMN1; SMN2 4482/4885ATM 4691/4885GAA 580/4885
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R SMN1; SMN2 2764/4885ATM 3428/4885GAA 892/4885
US-20140066426-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES TRPV1, CACNA1B, CACNA1G SMN1; SMN2 1274/4885ATM 4857/4885GAA 1942/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B SMN1; SMN2 3895/4885ATM 2385/4885GAA 85/4885
US-11130741-B2 Anti-infective heterocyclic compounds and uses thereof ELANE, MPO, NISCH SMN1; SMN2 4482/4885ATM 4691/4885GAA 580/4885
US-20180194718-A1 NEPRILYSIN INHIBITORS MME, REN, ACE SMN1; SMN2 920/4885ATM 4839/4885GAA 188/4885
US-20170327459-A1 NEPRILYSIN INHIBITORS MME, REN, ACE SMN1; SMN2 920/4885ATM 4839/4885GAA 188/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B SMN1; SMN2 3995/4885ATM 2226/4885GAA 82/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 SMN1; SMN2 1821/4885ATM 239/4885GAA 4404/4885

“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.