SCHEMBL16699036

SCHEMBL16699036

CC1CCN(c2ccn(C)n2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
ADAMTS5 Q9UNA0 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PIK3CD O00329 1/20 0.33
IDH1 O75874 1/20 0.33
BMPR1A P36894 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
KEAP1 Q14145 1/20 0.32
GRM4 Q14833 2/20 0.31
JMJD6 Q6NYC1 2/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL16699128 1.00 DDB1 (0.36) DDB1CRBNADAMTS5SMN1; SMN2PIK3CD
SCHEMBL20992203 0.83 DDB1 (0.35) DDB1CRBNADAMTS5SMN1; SMN2BMPR1A
SCHEMBL18611860 0.80 DDB1 (0.34) DDB1CRBNADAMTS5SMN1; SMN2BMPR1A
SCHEMBL892970 0.79 PTPN1 (0.38) DDB1CRBNADAMTS5SMN1; SMN2GRM4
SCHEMBL16699039 0.79 DDB1 (0.36) DDB1CRBNADAMTS5SMN1; SMN2BMPR1A
SCHEMBL892791 0.79 PTPN1 (0.38) DDB1CRBNADAMTS5SMN1; SMN2GRM4
SCHEMBL892973 0.77 JMJD6 (0.34) DDB1CRBNADAMTS5SMN1; SMN2JMJD6
SCHEMBL16699290 0.71 CRHR1 (0.40) DDB1CRBNSMN1; SMN2IDH1KEAP1
SCHEMBL13271927 0.71 PIK3CD (0.33) PIK3CDIDH1CHRM2CHRM4CHRM5
SCHEMBL26790468 0.71 SMN1; SMN2 (0.36) DDB1CRBNADAMTS5SMN1; SMN2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-11-03 US disclosed
EP-3066094-B1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2020-01-08 EP disclosed
US-9890145-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-13 US disclosed
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 US disclosed
US-20160311811-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-27 US disclosed
EP-3066094-A1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS Takeda Pharmaceutical Company Limited (JP) 2016-09-14 EP disclosed
US-9321757-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-26 US disclosed
WO-2015068856-A1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-14 WO disclosed
US-20150133451-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-14 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-20160311811-A1 HETEROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 DDB1 826/4885CRBN 740/4885ADAMTS5 1092/4885
US-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 DDB1 2978/4885CRBN 1937/4885ADAMTS5 452/4885
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 DDB1 2978/4885CRBN 1937/4885ADAMTS5 452/4885
US-20150133451-A1 HETEROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 DDB1 826/4885CRBN 740/4885ADAMTS5 1092/4885

“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.