SCHEMBL5515445

SCHEMBL5515445

CCCc1ccc(C(C)C)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TP53 P04637 2/20 0.41
PKM P14618 2/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NFKB1 P19838 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL8259759 0.89 NFKB1 (0.51) SMN1; SMN2NPC1RAB9ATP53PKM
SCHEMBL24451674 0.87 RAB9A (0.49) SMN1; SMN2NPC1RAB9ATP53PKM
SCHEMBL22725670 0.85 RAB9A (0.51) SMN1; SMN2NPC1RAB9ATP53PKM
SCHEMBL24158073 0.85 ESR1 (0.45) SMN1; SMN2NPC1RAB9ATP53PKM
SCHEMBL5513086 0.83 KDM4E (0.43) SMN1; SMN2NPC1RAB9AESR1ESR2
SCHEMBL14302266 0.82 ESR1 (0.51) SMN1; SMN2NPC1RAB9ATP53PKM
SCHEMBL27779353 0.82 ESR1 (0.39) SMN1; SMN2NPC1RAB9APKMESR1
SCHEMBL20932917 0.82 ESR1 (0.39) PKMESR1ESR2MEN1LMNA
SCHEMBL12185864 0.82 ESR1 (0.42) PKMESR1ESR2MEN1LMNA
SCHEMBL22828115 0.79 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9ATP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10183015-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2019-01-22 US disclosed
US-20180028518-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-02-01 US disclosed
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2014-12-18 US disclosed
US-8575197-B2 Pyrolinone derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2013-11-05 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 US disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-20110183939-A1 NOVEL PYROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2011-07-28 US disclosed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 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 (7 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-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 SMN1; SMN2 301/4885NPC1 4838/4885RAB9A 2507/4885
US-20110183939-A1 NOVEL PYROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX7, P2RX2 SMN1; SMN2 4469/4885NPC1 3351/4885RAB9A 3876/4885
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 SMN1; SMN2 4550/4885NPC1 1299/4885RAB9A 2111/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 SMN1; SMN2 301/4885NPC1 4838/4885RAB9A 2507/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 SMN1; SMN2 4482/4885NPC1 1516/4885RAB9A 2496/4885
US-20180028518-A1 Heterocyclic Compounds and Methods of Use LIPC, CPT1A, FABP1 SMN1; SMN2 4443/4885NPC1 24/4885RAB9A 2529/4885
US-10183015-B2 Heterocyclic compounds and methods of use LIPC, CPT1A, FABP1 SMN1; SMN2 4443/4885NPC1 24/4885RAB9A 2529/4885

“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.