SCHEMBL792209

SCHEMBL792209

CCN(C)C(=O)CN1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
HTT P42858 2/20 0.46
GAA P10253 1/20 0.45
ALDH1A1 P00352 5/20 0.42
BCHE P06276 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL14724826 0.82 HTR1A (0.44) SIGMAR1ALDH1A1BCHESMN1; SMN2MEN1
SCHEMBL14492410 0.82 SIGMAR1 (0.51) SIGMAR1HTTGAAALDH1A1BCHE
SCHEMBL6039643 0.82 KDM4E (0.49) SIGMAR1HTTGAAALDH1A1BCHE
SCHEMBL8290942 0.81 ALDH1A1 (0.55) SIGMAR1HTTGAAALDH1A1CHRM2
SCHEMBL12510959 0.81 KDM4E (0.50) SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL665674 0.81 SIGMAR1 (0.61) SIGMAR1ALDH1A1BCHECHRM5CHRM3
SCHEMBL19865654 0.80 SIGMAR1 (0.51) SIGMAR1HTTALDH1A1BCHECHRM1
SCHEMBL20605092 0.79 KDM4E (0.50) SIGMAR1HTTGAAALDH1A1BCHE
SCHEMBL8290941 0.79 ALDH1A1 (0.56) SIGMAR1HTTGAAALDH1A1CHRM2
SCHEMBL26343340 0.78 HTT (0.44) SIGMAR1HTTGAAALDH1A1SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7964593-B2 Indolone-acetamide derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2011-06-21 US disclosed
US-20100069375-A1 Indolone-Acetamide Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2010-03-18 US disclosed
US-7645887-B2 2-(5-iodo-2-oxo-2,3-dihydro-1H-indol-1-yl)acetamide; epilepsy, epileptogenesis, seizure disorders and convulsion; 2-(5-chloro-2-oxo-2,3-dhydro-1H-indol-1-yl)-N-[6-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide UCB PHARMA, S.A. (BE) 2010-01-12 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070043038-A1 Indolone-acetamide derivatives, processes for preparing them and their uses UCB, S.A. (BE) 2007-02-22 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 (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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 SIGMAR1 3155/4885HTT 1606/4885GAA 374/4885
US-20100069375-A1 Indolone-Acetamide Derivatives, Processes for Preparing Them and Their Uses AANAT, TPH2, CYP1A2 SIGMAR1 4046/4885HTT 1781/4885GAA 1629/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SIGMAR1 3155/4885HTT 1606/4885GAA 374/4885
US-20070043038-A1 Indolone-acetamide derivatives, processes for preparing them and their uses AANAT, TPH2, CYP1A2 SIGMAR1 4046/4885HTT 1781/4885GAA 1629/4885

“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.