SCHEMBL8290941

SCHEMBL8290941

CN(C)C(=O)CN1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
GAA P10253 1/20 0.46
SIGMAR1 Q99720 1/20 0.42
HTT P42858 2/20 0.42
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
DRD2 P14416 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8290942 0.98 ALDH1A1 (0.55) ALDH1A1GAASIGMAR1HTTCHRM2
SCHEMBL4958458 0.95 ALDH1A1 (0.56) ALDH1A1GAASIGMAR1HTTCHRM2
SCHEMBL15043685 0.93 ALDH1A1 (0.59) ALDH1A1GAASIGMAR1HTTDRD2
SCHEMBL9043181 0.86 ALDH1A1 (0.49) ALDH1A1GAASIGMAR1HTTDRD2
SCHEMBL23269699 0.84 ALDH1A1 (0.51) ALDH1A1SIGMAR1DRD2SMN1; SMN2
SCHEMBL2648031 0.84 ALDH1A1 (0.47) ALDH1A1GAASIGMAR1HTTDRD2
SCHEMBL2011012 0.82 SIGMAR1 (0.64) ALDH1A1SIGMAR1CHRM2CHRM5CHRM1
SCHEMBL12325467 0.82 ALDH1A1 (0.58) ALDH1A1GAASIGMAR1DRD2SMN1; SMN2
SCHEMBL20457594 0.82 ALDH1A1 (0.58) ALDH1A1DRD2SMN1; SMN2MEN1KMT2A
SCHEMBL6998053 0.82 ALDH1A1 (0.58) ALDH1A1SIGMAR1DRD2SMN1; 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728009-A Preventing or treating diseases and disorders associated with tissue damage 李晓祥 2022-07-08 CN claimed
CN-114728009-A Preventing or treating diseases and disorders associated with tissue damage 李晓祥 2022-07-08 CN disclosed
WO-2022135470-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 2022-06-30 WO disclosed
CN-107698603-B Thienopyrimidine compound, preparation method thereof, medicinal composition and application thereof 南京红云生物科技有限公司 2022-04-08 CN disclosed
CN-107151250-B Pyrimidine seven-membered ring compound, preparation method thereof, medicinal composition and application thereof 安徽省新星药物开发有限责任公司 2020-03-27 CN disclosed
US-9296722-B2 Azolyl urea compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2016-03-29 US disclosed
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-01-14 US disclosed
US-7524863-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-28 US disclosed
US-7524863-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-28 US disclosed
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-7157470-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-7157470-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO disclosed
WO-2004041776-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-21 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-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 ALDH1A1 514/4885GAA 4085/4885SIGMAR1 347/4885

“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.