SCHEMBL799017

SCHEMBL799017

CC(=O)N1[C@H](C)CN(C)C[C@@H]1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRNB2 P17787 3/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNA4 P43681 3/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
CHRNB4 P30926 2/20 0.32
GAA P10253 1/20 0.31
NSD2 O96028 1/20 0.31
CHRNA7 P36544 1/20 0.30
RECQL P46063 1/20 0.30
MAPK1 P28482 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
SCHEMBL357505 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2TDP1CHRNB2CHRNA3
SCHEMBL18081175 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2TDP1CHRNB2CHRNA3
SCHEMBL14590483 0.80 CHRNB2 (0.48) SMN1; SMN2CYP1A2TDP1CHRNB2CHRNA3
SCHEMBL3324237 0.80 TSHR (0.33) SMN1; SMN2TSHRMAPTGAARECQL
SCHEMBL31665062 0.80 TSHR (0.33) SMN1; SMN2TSHRMAPTGAARECQL
SCHEMBL25154698 0.79 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL25154764 0.79 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL25154426 0.79 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL25154680 0.79 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL357504 0.78 SMN1; SMN2 (0.42) SMN1; SMN2CHRNB2CHRNA3CHRNA4TSHR

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
EP-4242207-A1 KRAS INHIBITORS FOR TREATMENT OF CANCERS Tyligand Bioscience (Shanghai) Limited (CN) 2023-09-13 EP disclosed
EP-3262036-B1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2023-09-13 EP disclosed
WO-2022095960-A1 KRAS INHIBITORS FOR TREATMENT OF CANCERS 泰励生物科技(上海)有限公司 2022-05-12 WO disclosed
EP-3209665-B1 SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-14 EP disclosed
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
EP-2336132-B1 MORPHOLINOPURINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-01-01 EP disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2336132-A1 MORPHOLINOPURINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2011-06-22 EP disclosed
US-7329652-B2 Diaminotriazole compounds useful as protein kinase inhibitors VERTEX PHARAMACEUTICALS INCORPORATED (US) 2008-02-12 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 (2 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-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS PIK3R3, PIK3R5, PIK3R1 SMN1; SMN2 4616/4885CYP1A2 1964/4885TDP1 1703/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 SMN1; SMN2 2875/4885CYP1A2 3323/4885TDP1 1498/4885

“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.