SCHEMBL3672663

SCHEMBL3672663

CC(C)(C)C(=O)N1CCN(c2ccc(N)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.53
SKP1 P63208 1/20 0.53
SKP2 Q13309 1/20 0.53
SMO Q99835 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
RET P07949 1/20 0.45
ME2 P23368 3/20 0.44
ME1 P48163 3/20 0.44
ME3 Q16798 3/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
AOC3 Q16853 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL15651014 0.90 SYK (0.48) CKS1BSKP1SKP2SMN1; SMN2ALDH1A1
SCHEMBL27657540 0.86 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HPGDKDM4EPOLB
SCHEMBL23600942 0.84 CKS1B (0.54) CKS1BSKP1SKP2SMOSMN1; SMN2
SCHEMBL736846 0.84 CASP6 (0.59) CKS1BSKP1SKP2SMOSMN1; SMN2
SCHEMBL18701794 0.83 PANK3 (0.56) CKS1BSKP1SKP2SMOSMN1; SMN2
SCHEMBL29612182 0.82 MAP4K4 (0.60) CKS1BSKP1SKP2SMN1; SMN2RET
SCHEMBL265889 0.82 MAP4K4 (0.60) CKS1BSKP1SKP2SMN1; SMN2RET
SCHEMBL2456399 0.82 ME2 (0.47) SMN1; SMN2ALDH1A1ME2ME1ME3
SCHEMBL24721231 0.82 CKS1B (0.55) CKS1BSKP1SKP2SMOSMN1; SMN2
SCHEMBL18701802 0.81 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1HPGDKDM4EPOLB

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 CKS1B 2482/4885SKP1 3859/4885SKP2 3711/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT CKS1B 2482/4885SKP1 3859/4885SKP2 3711/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT CKS1B 2482/4885SKP1 3859/4885SKP2 3711/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT CKS1B 2482/4885SKP1 3859/4885SKP2 3711/4885

“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.