SCHEMBL14769296

SCHEMBL14769296

O=C(O)CC1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.52
CACNA2D1 P54289 3/20 0.46
CACNB1 Q02641 3/20 0.46
CACNA1C Q13936 3/20 0.46
CACNA1B Q00975 2/20 0.46
CACNA1H O95180 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.46
ATM Q13315 1/20 0.45
MAOB P27338 1/20 0.45
OPRD1 P41143 1/20 0.45
CACNA1A O00555 1/20 0.45

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
SCHEMBL5779560 0.87 KMT2A (0.51) SLC6A9CACNA2D1CACNB1CACNA1CCACNA1B
SCHEMBL13857882 0.83 ALDH1A1 (0.55) SLC6A9CACNA2D1CACNB1CACNA1CCACNA1B
SCHEMBL7834836 0.83 SLC6A9 (0.47) SLC6A9ALDH1A1KMT2AOPRD1
SCHEMBL16759363 0.82 SLC6A9 (0.46) SLC6A9CACNA2D1CACNB1CACNA1CCACNA1B
SCHEMBL21641193 0.81 CACNA2D1 (0.50) SLC6A9CACNA2D1CACNB1CACNA1CCACNA1B
SCHEMBL21640152 0.81 OPRD1 (0.49) SLC6A9ALDH1A1KMT2AOPRD1
SCHEMBL72670 0.80 MEN1 (0.48) SLC6A9CACNA2D1CACNB1CACNA1CCACNA1B
SCHEMBL17726230 0.79 KMT2A (0.45) SLC6A9CACNA2D1CACNB1CACNA1CCACNA1B
SCHEMBL85389 0.79 SLC6A9 (0.42) SLC6A9CACNA2D1CACNB1CACNA1CCACNA1B
SCHEMBL1221931 0.79 SLC6A9 (0.46) SLC6A9CACNA2D1CACNB1CACNA1CCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604305-B1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMA CO LTD (JP) 2024-08-28 EP disclosed
CN-110520422-B Novel pyridonecarboxylic acid derivative or salt thereof 涌永制药株式会社 2023-09-05 CN disclosed
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2022-03-29 US disclosed
US-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2020-02-27 US disclosed
EP-3604305-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Wakunaga Pharmaceutical Co., Ltd. (JP) 2020-02-05 EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 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 (3 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-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 SLC6A9 1870/4885CACNA2D1 306/4885CACNB1 312/4885
US-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF RAB10, HDAC10, NEK10 SLC6A9 2277/4885CACNA2D1 3906/4885CACNB1 3893/4885
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof RARA, RAB10, RABL6 SLC6A9 2300/4885CACNA2D1 3902/4885CACNB1 3976/4885

“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.