SCHEMBL3458256

SCHEMBL3458256

COC(=O)c1ccc(OC2CCN(C)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.56
SCN2A Q99250 2/20 0.56
SCN3A Q9NY46 2/20 0.56
HRH3 Q9Y5N1 4/20 0.54
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
EPHX2 P34913 3/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CHEK2 O96017 1/20 0.49
FAAH O00519 1/20 0.49
LMNA P02545 1/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
PARP10 Q53GL7 1/20 0.46

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
Hydrochloric Acid SCHEMBL6444714 0.98 SCN1A (0.55) SCN1ASCN2ASCN3AHRH3KMT2A
SCHEMBL22664150 0.93 SCN1A (0.51) SCN1ASCN2ASCN3AHRH3KMT2A
SCHEMBL20179660 0.93 SCN1A (0.51) SCN1ASCN2ASCN3AHRH3KMT2A
SCHEMBL16147114 0.87 EPHX2 (0.61) KMT2AMEN1EPHX2CA1CA2
SCHEMBL22694560 0.85 KMT2A (0.51) HRH3KMT2AMEN1EPHX2CA1
SCHEMBL3458790 0.84 SRD5A1 (0.59) SCN1ASCN2ASCN3AHRH3KMT2A
SCHEMBL1480727 0.84 HRH3 (0.56) SCN1ASCN2ASCN3AHRH3KMT2A
SCHEMBL24244916 0.84 SCN1A (0.56) SCN1ASCN2ASCN3AHRH3KMT2A
SCHEMBL25933643 0.84 HRH3 (0.58) HRH3KMT2AMEN1EPHX2FAAH
SCHEMBL8339652 0.84 PARP10 (0.60) SCN1ASCN2ASCN3AEPHX2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266987-B1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2017-05-17 EP disclosed
EP-1575954-B1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-08-03 EP disclosed
US-8785448-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-22 US disclosed
US-20130344031-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-12-26 US disclosed
US-8557857-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-10-15 US disclosed
US-8557845-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-10-15 US disclosed
US-8481585-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-07-09 US disclosed
US-20130017170-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-17 US disclosed
US-20130012507-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-10 US disclosed
EP-2266987-A1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors Pfizer Italia S.r.l. (IT) 2010-12-29 EP disclosed
US-20070004705-A1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-01-04 US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
EP-1575954-A2 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-09-21 EP disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
WO-2004056827-A2 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2004-07-08 WO disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 WO disclosed
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO 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 (6 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-20070004705-A1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors CCNI, CDK1, CDK2 SCN1A 2852/4885SCN2A 4059/4885SCN3A 3092/4885
US-20130344031-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS CCNI, CDK1, CDK2 SCN1A 2852/4885SCN2A 4059/4885SCN3A 3092/4885
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R SCN1A 1529/4885SCN2A 1898/4885SCN3A 1136/4885
US-20130012507-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS CCNI, CDK1, CDK2 SCN1A 2852/4885SCN2A 4059/4885SCN3A 3092/4885
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 SCN1A 2944/4885SCN2A 4149/4885SCN3A 3672/4885
US-20130017170-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS CCNI, CDK1, CDK2 SCN1A 2852/4885SCN2A 4059/4885SCN3A 3092/4885

“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.