SCHEMBL2654670

SCHEMBL2654670

C[N]CCN1CCN(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.41
PAOX Q6QHF9 1/20 0.39
LMNA P02545 1/20 0.39
SIGMAR1 Q99720 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
CHKA P35790 2/20 0.36
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX15 P16050 1/20 0.35
CA2 P00918 1/20 0.34
NCF1 P14598 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
TP53 P04637 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
SCHEMBL4395013 0.83 PAOX (0.43) MC4RPAOXLMNASIGMAR1CYP1A2
SCHEMBL474947 0.83
SCHEMBL1315646 0.81 LMNA (0.52) LMNASIGMAR1CYP1A2PRMT6
SCHEMBL12021727 0.79 PAOX (0.36) MC4RPAOXLMNASIGMAR1CYP1A2
SCHEMBL17122822 0.79 PAOX (0.41) MC4RPAOXLMNASIGMAR1CYP1A2
SCHEMBL21905467 0.79 PAOX (0.36) MC4RPAOXLMNASIGMAR1CYP1A2
SCHEMBL2656148 0.79 ALDH1A1 (0.48) LMNACYP2D6KDM4ETP53
SCHEMBL10500838 0.79 ALOX15 (0.38) MC4RPAOXLMNASIGMAR1CYP1A2
SCHEMBL6143515 0.78 PAOX (0.46) MC4RPAOXLMNASIGMAR1CYP1A2
SCHEMBL40839 0.78 PAOX (0.46) MC4RPAOXLMNASIGMAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700638-B2 1,5,7-trisubstituted benzimidazole derivatives and their use for modulating the GABAA receptor complex N. V. ORGANON (NL) 2010-04-20 US disclosed
US-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex N.V. ORGANON (NL) 2007-01-25 US disclosed
EP-1678144-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-a RECEPTOR COMPLEX Akzo Nobel N.V. (NL) 2006-07-12 EP disclosed
WO-2005040131-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX AKZO NOBEL N.V. (NL) 2005-05-06 WO 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-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex GABRB1, GABRA5, GABRB2 MC4R 628/4885PAOX 1546/4885LMNA 4662/4885

“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.