SCHEMBL4554005

SCHEMBL4554005

Cc1cccc(C2(C#N)CCC(=O)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
HDAC4 P56524 1/20 0.39
OPRM1 P35372 3/20 0.39
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
HSD11B1 P28845 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1986488 0.87 KMT2A (0.49) KMT2AHDAC4OPRM1
SCHEMBL8747862 0.84 KMT2A (0.40) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL8179858 0.84 HDAC4 (0.40) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL624786 0.83 KMT2A (0.47) KMT2AHDAC4OPRM1HSD11B1
SCHEMBL15866986 0.83 KMT2A (0.47) KMT2AMEN1HDAC4OPRM1HSD11B1
SCHEMBL16691395 0.82 KMT2A (0.46) KMT2AMEN1HDAC4OPRM1HSD11B1
SCHEMBL2290005 0.81 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL11708337 0.81 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL11071644 0.81 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL1556970 0.81 ALDH1A1 (0.45) PDE4APDE4BPDE4CPDE4DKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526207-B1 HETEROCYCLIC COMPOUNDS HAVING ACTIVITY AS MODULATORS OF MUSCARINIC M1 AND/OR M4 RECEPTORS IN THE TREATMENT OF CNS DISEASES AND PAINS. HEPTARES THERAPEUTICS LTD (GB) 2021-09-08 EP disclosed
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO disclosed
US-4025558-A SPIRO(CYCLOHEXANE-1,1*(2'H)-NAPHTHALENE); BENZOSPIRAN DERIVATIVES; CNS DEPRESSANTS, LOWERS BLOOD PRESSURE THE UPJOHN COMPANY (US) 1977-05-24 US disclosed
US-4010201-A AMINOBENZOSPIRANS, CENTRAL NERVOUS SYSTEM DEPRESSANT, HYPOTENSIVE THE UPJOHN COMPANY (US) 1977-03-01 US disclosed
US-3932425-A CNS DEPRESSANT, BLOOD PRESSURE LOWERING THE UPJOHN COMPANY (US) 1976-01-13 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 (1 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-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 PDE4A 539/4885PDE4B 636/4885PDE4C 944/4885

“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.