SCHEMBL2224846

SCHEMBL2224846

CCCN(C(C)C(N)=O)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL10643920 0.69 SIGMAR1 (0.42) SIGMAR1CHRM5CHRM3GNAI3GNAO1
Hydrochloric Acid SCHEMBL29614224 0.68 SIGMAR1 (0.32) SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL9391092 0.67 CA2 (0.39) SIGMAR1CHRM5CHRM3HTR2AHTR2C
SCHEMBL28945088 0.67 CHRM5 (0.30) CHRM5CHRM3
SCHEMBL3920815 0.67 SIGMAR1 (0.36) SIGMAR1
SCHEMBL11506428 0.66 SIGMAR1 (0.53) SIGMAR1CHRM5CHRM3GNAI3GNAO1
SCHEMBL27855514 0.66 SIGMAR1 (0.35) SIGMAR1CHRM5CHRM3GNAI3GNAO1
SCHEMBL11020886 0.66 SIGMAR1 (0.36) SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL6201946 0.66 FDPS (0.41) HTR2A
SCHEMBL7064806 0.66 SIGMAR1 (0.40) SIGMAR1GNAI3GNAO1GNAI1

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-2519519-A2 SUBSTITUTED NAPHTHALENYL-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
WO-2011082268-A2 SUBSTITUTED NAPHTHALENYL-PYRIMIDINE COMPOUNDS ARQULE INC. (US) 2011-07-07 WO disclosed
US-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed
US-7470709-B2 Benzimidazole quinolinones and uses thereof NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma CHIRON CORPORATION 2005-11-24 US disclosed
US-20050256157-A1 Combination therapy with CHK1 inhibitors CHIRON CORPORATION 2005-11-17 US disclosed
US-20050203101-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2005-09-15 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 (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-20050256157-A1 Combination therapy with CHK1 inhibitors CHEK1, CHEK2, RAD1 SIGMAR1 4811/4885CHRM5 4848/4885CHRM3 4418/4885
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma FGFR3, FGFR1, FGFR2 SIGMAR1 4880/4885CHRM5 4507/4885CHRM3 2705/4885
US-20050203101-A1 Benzimidazole quinolinones and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, PBRM1 SIGMAR1 1105/4885CHRM5 3235/4885CHRM3 2667/4885

“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.