SCHEMBL21047720

SCHEMBL21047720

O=C1CCN(c2ccccn2)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.65
GRIN3B O60391 1/20 0.65
GRIN1 Q05586 1/20 0.65
GRIN2A Q12879 1/20 0.65
GRIN2B Q13224 1/20 0.65
GRIN2C Q14957 1/20 0.65
GRIN3A Q8TCU5 1/20 0.65
PLD1 Q13393 1/20 0.51
CRBN Q96SW2 1/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
ALOX5 P09917 1/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL21047722 0.90 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL611154 0.89 PLD1 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20004240 0.79 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21047625 0.77 KDM4E (0.44) ALDH1A1KDM4EMAPTSMN1; SMN2HSD17B10
SCHEMBL21353591 0.76
SCHEMBL29857922 0.76 PLD1 (0.73) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15800694 0.76 PLD1 (0.73) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30666340 0.76 PLD1 (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20812359 0.76 PLD1 (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3584893 0.76 PIM1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495341-B1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL KANTO DENKA KOGYO KK (JP) 2022-11-02 EP disclosed
CN-107108595-B Novel FXR (NR1H4) modulating compounds 吉利德科学公司 2021-04-06 CN disclosed
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 US disclosed
EP-3495341-A1 METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL Kanto Denka Kogyo Co., Ltd. (JP) 2019-06-12 EP disclosed
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-06-06 US disclosed
CN-107001358-A Adjust the new pyridine hepyramine compound of istone lysine demethylase (KDM) catalytic activity 东亚ST株式会社 2017-08-01 CN 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-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS GRIN2D 2816/4885GRIN3B 2542/4885GRIN1 2023/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS GRIN2D 2816/4885GRIN3B 2542/4885GRIN1 2023/4885

“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.