SCHEMBL799032

SCHEMBL799032

CC(=O)N1CCN(C)C[C@@H]1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 4/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BRD4 O60885 1/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35
ATM Q13315 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL799196 1.00 CYP1A2 (0.43) CYP1A2TDP1TSHRMAPTPOLB
SCHEMBL357615 1.00 CYP1A2 (0.43) CYP1A2TDP1TSHRMAPTPOLB
SCHEMBL9446411 0.83 TSHR (0.39) CYP1A2TDP1TSHRMAPTGAA
SCHEMBL4248088 0.83 TSHR (0.39) CYP1A2TDP1TSHRMAPTGAA
SCHEMBL3829548 0.83 TSHR (0.39) CYP1A2TDP1TSHRMAPTGAA
Hydrochloric Acid SCHEMBL4246521 0.81 TSHR (0.38) CYP1A2TDP1TSHRMAPTGAA
SCHEMBL16009685 0.81 TSHR (0.38) CYP1A2TDP1TSHRMAPTGAA
Hydrochloric Acid SCHEMBL21805904 0.81 TSHR (0.38) CYP1A2TDP1TSHRMAPTGAA
SCHEMBL21885560 0.81 TSHR (0.38) CYP1A2TDP1TSHRMAPTGAA
SCHEMBL16009686 0.81 TSHR (0.38) CYP1A2TDP1TSHRMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3262036-B1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2023-09-13 EP disclosed
WO-2023020457-A1 PYRIDAZINONE OR PYRIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-02-23 WO disclosed
US-10227359-B2 Tricyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2019-03-12 US disclosed
US-20180222920-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2018-08-09 US disclosed
US-9834565-B2 Tricyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2017-12-05 US disclosed
US-20170158710-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2017-06-08 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
US-8022059-B2 Indazole acrylic acid amide compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-20 US disclosed
EP-2336132-A1 MORPHOLINOPURINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2011-06-22 EP disclosed
US-20100256108-A1 INDAZOLE ACRYLIC ACID AMIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-07 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 (5 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-10227359-B2 Tricyclic heterocycles as bet protein inhibitors BRD3, BRD1, BRD2 CYP1A2 4101/4885TDP1 981/4885TSHR 1954/4885
US-20170158710-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD3, BRD1, BRD2 CYP1A2 4101/4885TDP1 981/4885TSHR 1954/4885
US-20180222920-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD3, BRD1, BRD2 CYP1A2 4101/4885TDP1 981/4885TSHR 1954/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 CYP1A2 3323/4885TDP1 1498/4885TSHR 2037/4885
US-20100256108-A1 INDAZOLE ACRYLIC ACID AMIDE COMPOUND KCNH2, KCNH3, KCNJ11 CYP1A2 607/4885TDP1 4376/4885TSHR 154/4885

“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.