SCHEMBL3666955

SCHEMBL3666955

CCCCNC(=O)N(C)C1CCN(c2ccc(N)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.45
TLR7 Q9NYK1 4/20 0.44
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCHR1 Q99705 1/20 0.38
ABL1 P00519 1/20 0.37
NPY5R Q15761 5/20 0.37
JAK2 O60674 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
MAP4K4 O95819 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL3669976 0.84 JAK2 (0.45) TLR7KDM4ELMNASMN1; SMN2MCHR1
SCHEMBL3634589 0.83 KDM4E (0.47) CHRM4KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3668424 0.81 JAK2 (0.51) TLR7KDM4ELMNASMN1; SMN2MCHR1
SCHEMBL3666603 0.81 KDM4E (0.42) TLR7KDM4ELMNASMN1; SMN2MCHR1
SCHEMBL3666152 0.81 JAK3 (0.43) CHRM4KDM4ELMNAMCHR1ABL1
SCHEMBL3662351 0.79 AAK1 (0.46) KDM4ELMNAMCHR1ABL1HRH3
SCHEMBL3669359 0.78 KDM4E (0.45) KDM4ELMNAALDH1A1MCHR1ABL1
SCHEMBL3812349 0.77 NPY5R (0.47) CHRM4KDM4EMAPTSMN1; SMN2NPY5R
SCHEMBL3811671 0.76 CCR5 (0.48) KDM4ELMNAMCHR1ABL1JAK2
SCHEMBL3669783 0.76 CCR5 (0.47) CHRM4KDM4ELMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 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 (4 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT CHRM4 4772/4885TLR7 4507/4885KDM4E 2823/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT CHRM4 4772/4885TLR7 4507/4885KDM4E 2823/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT CHRM4 4772/4885TLR7 4507/4885KDM4E 2823/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT CHRM4 4772/4885TLR7 4507/4885KDM4E 2823/4885

“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.