SCHEMBL21047722

SCHEMBL21047722

O=C1CCCN(c2ccccn2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.57
GRIN3B O60391 1/20 0.57
GRIN1 Q05586 1/20 0.57
GRIN2A Q12879 1/20 0.57
GRIN2B Q13224 1/20 0.57
GRIN2C Q14957 1/20 0.57
GRIN3A Q8TCU5 1/20 0.57
PLD1 Q13393 1/20 0.49
KDM4E B2RXH2 3/20 0.47
CRBN Q96SW2 1/20 0.46
ALDH1A1 P00352 6/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
HSD17B10 Q99714 2/20 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
SCHEMBL21047720 0.90 GRIN2D (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL611154 0.79 PLD1 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3014047 0.79 KDM4E (0.42) KDM4EALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL230367 0.78 PLD1 (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18228078 0.78 PLD1 (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL157489 0.78 PLD1 (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29462629 0.78 PLD1 (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5923049 0.78 PLD1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28282315 0.77 KDM4E (0.41) KDM4EALDH1A1KMT2A
SCHEMBL3154137 0.76 PLD1 (0.66) 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 4 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
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

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.