SCHEMBL3211223

SCHEMBL3211223

CC(C)(C)OC(=O)N1CCc2ccc(C=O)cc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.53
DRD2 P14416 2/20 0.53
HTR7 P34969 2/20 0.53
ESR2 Q92731 1/20 0.46
NR1H2 P55055 1/20 0.45
NOTUM Q6P988 1/20 0.43
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.41
GPR119 Q8TDV5 7/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
GHSR Q92847 1/20 0.39
ALDH1A3 P47895 3/20 0.39
DHODH Q02127 1/20 0.39

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
SCHEMBL29159709 0.91 CHRM4 (0.48) CHRM4DRD2HTR7ESR2NR1H2
SCHEMBL1467859 0.91 MEN1 (0.48) CHRM4DRD2HTR7ESR2NR1H2
SCHEMBL24820902 0.89 CHRM4 (0.47) CHRM4DRD2HTR7ESR2NR1H2
SCHEMBL17494944 0.88 CHRM4 (0.52) CHRM4DRD2HTR7ESR2NR1H2
SCHEMBL3905057 0.83 ESR2 (0.61) CHRM4DRD2HTR7ESR2NR1H2
SCHEMBL23063860 0.83 DRD2 (0.52) CHRM4DRD2HTR7ESR2NR1H2
SCHEMBL11977137 0.83 DRD2 (0.50) CHRM4DRD2HTR7ESR2NR1H2
SCHEMBL16693062 0.83 ALDH1A1 (0.56) CHRM4DRD2HTR7NOTUMHDAC1
SCHEMBL619008 0.82 DRD2 (0.51) CHRM4DRD2HTR7ESR2NR1H2
SCHEMBL595638 0.82 CHRM4 (0.51) CHRM4DRD2HTR7ESR2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 US disclosed
US-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 US disclosed
CN-101558038-B Curcumin derivative TOKYO INST TECH 2013-05-01 CN disclosed
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US disclosed
EP-2123637-A1 NOVEL CURCUMIN DERIVATIVE Tokyo Institute of Technology (JP) 2009-11-25 EP disclosed
CN-101558038-A Novel curcumin derivative TOKYO INST TECH (JP) 2009-10-14 CN disclosed
US-20030232860-A1 Medicine comprising dicyanopyridine derivative ASTELLAS PHARMA INC. (JP) 2003-12-18 US disclosed
EP-1302463-A1 MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-16 EP 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 (3 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-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 CHRM4 2826/4885DRD2 981/4885HTR7 1085/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 CHRM4 3020/4885DRD2 4662/4885HTR7 3479/4885
US-20030232860-A1 Medicine comprising dicyanopyridine derivative KCNN3, KCNN2, KCNN1 CHRM4 361/4885DRD2 1145/4885HTR7 1372/4885

“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.