SCHEMBL2264510

SCHEMBL2264510

Cc1cccc2c1NC(=O)C2(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.62
PDK4 Q16654 3/20 0.61
PDK1 Q15118 1/20 0.61
PDK3 Q15120 1/20 0.61
CNR1 P21554 1/20 0.54
HTT P42858 1/20 0.54
GPR35 Q9HC97 1/20 0.54
GPR55 Q9Y2T6 1/20 0.54
PDE7A Q13946 1/20 0.46
DAO P14920 1/20 0.44
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
PGR P06401 5/20 0.38
LCK P06239 2/20 0.38
EPHX2 P34913 1/20 0.37
CREBBP Q92793 1/20 0.37

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
SCHEMBL24484211 0.83 PDE7A (0.43) PDK2PDK4PDK1PDK3CNR1
SCHEMBL2269040 0.78 PDK2 (0.61) PDK2PDK4PDK1PDK3PDE7A
SCHEMBL10828239 0.78 PDK2 (0.61) PDK2PDK4PDK1PDK3CNR1
SCHEMBL31117008 0.78 PDK2 (0.61) PDK2PDK4PDK1PDK3CNR1
SCHEMBL3138211 0.78 PDK2 (0.61) PDK2PDK4PDK1PDK3CNR1
SCHEMBL23835843 0.78 CNR1 (0.49) PDK2PDK4PDK1PDK3CNR1
SCHEMBL24029211 0.78 CNR1 (0.49) PDK2PDK4PDK1PDK3CNR1
SCHEMBL10470225 0.77 PDK2 (0.59) PDK2PDK4PDK1PDK3CNR1
SCHEMBL14516941 0.76 PDE7A (0.39) PDK2PDK4PDK1PDK3CNR1
SCHEMBL10828347 0.76 PDK2 (0.57) PDK2PDK4PDK1PDK3CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-12-22 US disclosed
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 US disclosed
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 US disclosed
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 US disclosed
WO-2011092293-A2 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-04 WO disclosed
WO-2011092293-A2 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-04 WO disclosed
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-0780388-B1 5HT1Dalpha and 5HT2A ligands LILLY CO ELI (GB) 2001-08-16 EP disclosed
US-6166040-A Indole compounds ELI LILLY AND COMPANY LIMITED (GB) 2000-12-26 US disclosed
EP-0963983-A1 Indol-2-ones as serotonin modulators ELI LILLY AND COMPANY LIMITED (GB) 1999-12-15 EP disclosed
EP-0653426-B1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA CO (JP) 1998-07-22 EP disclosed
US-5773448-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1998-06-30 US disclosed
EP-0780388-A1 5HT1Dalpha and 5HT2A ligands LILLY INDUSTRIES LIMITED (GB) 1997-06-25 EP disclosed
US-5510366-A INOTROPIC, ANTIARRHYMTHMIA AGENTS, VASODILATORS KOWA CO., LTD. (JP) 1996-04-23 US disclosed
EP-0653426-A1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA COMPANY, LTD. (JP) 1995-05-17 EP disclosed
US-4933336-A Thiadiazinone, oxadiazinone and triazinone derivatives, and their use for treating acute or chronic heart disease LABORATOIRES SOBIO S.A. (FR) 1990-06-12 US disclosed
EP-0303418-A2 Substituted indolones, useful in the treatment of heart or asthmatic diseases SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1989-02-15 EP 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 (3 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-20090012055-A1 Organic compounds REN, ACE, ACE2 PDK2 321/4885PDK4 235/4885PDK1 504/4885
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL PDK2 1714/4885PDK4 2777/4885PDK1 1538/4885
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, CRH PDK2 2556/4885PDK4 2817/4885PDK1 3566/4885

“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.