SCHEMBL2458975

SCHEMBL2458975

CCC1CN(c2ccc(N)c(C(=O)NCC(=O)NC(C)C)c2)CCCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.38
CCR2 P41597 15/20 0.36
ADRB1 P08588 1/20 0.34
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34
PSMB11 A5LHX3 1/20 0.33
PSMA7 O14818 1/20 0.33
NFKB1 P19838 1/20 0.33
PSMB1 P20618 1/20 0.33
PSMA1 P25786 1/20 0.33
PSMA2 P25787 1/20 0.33
PSMA3 P25788 1/20 0.33
PSMA4 P25789 1/20 0.33
PDE4A P27815 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB9 P28065 1/20 0.33
PSMA5 P28066 1/20 0.33
PSMB4 P28070 1/20 0.33
PSMB6 P28072 1/20 0.33
PSMB5 P28074 1/20 0.33

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
SCHEMBL2463353 0.93 IP6K1 (0.36) IP6K1CCR2ADRB1
SCHEMBL2462015 0.89 ADRB1 (0.35) IP6K1CCR2ADRB1
SCHEMBL2460684 0.88 USP25 (0.39) IP6K1CCR2ROCK2ROCK1PSMB11
SCHEMBL2462788 0.88 USP25 (0.39) IP6K1CCR2ROCK2ROCK1PSMB11
SCHEMBL2461995 0.87 ADRB1 (0.38) IP6K1CCR2ADRB1
SCHEMBL2459768 0.85 MAPT (0.41) IP6K1CCR2
SCHEMBL2463515 0.85 MAPT (0.41) IP6K1CCR2
SCHEMBL2459776 0.85 MAPT (0.41) IP6K1CCR2
SCHEMBL2458971 0.84 IP6K1 (0.38) IP6K1ADRB1ROCK2ROCK1
SCHEMBL3451783 0.83 USP25 (0.43) IP6K1CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069315-B1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES ORGANON NV (NL) 2011-09-07 EP disclosed
US-7820649-B2 Quinazolinone and isoquinolinone acetamide derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-04-17 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 (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-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES NQO2, GATD3, SDHA IP6K1 2048/4885CCR2 3951/4885ADRB1 584/4885

“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.