SCHEMBL21647149

SCHEMBL21647149

COc1ccc2c(=O)cc(-c3ccc(N4CCCCC4)cc3)oc2c1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.63
▸ CYP2C19 P33261 2/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ NCOA1 Q15788 1/20 0.63
▸ NCOA3 Q9Y6Q9 1/20 0.63
▸ USP8 P40818 6/20 0.61
▸ TERT O14746 5/20 0.60
▸ TUBB4A P04350 1/20 0.52
▸ TUBB P07437 1/20 0.52
▸ TUBA3C P0DPH7 1/20 0.52
▸ TUBA1B P68363 1/20 0.52
▸ TUBA4A P68366 1/20 0.52
▸ TUBB4B P68371 1/20 0.52
▸ TUBB3 Q13509 1/20 0.52
▸ TUBB2A Q13885 1/20 0.52
▸ TUBB8 Q3ZCM7 1/20 0.52
▸ TUBA3E Q6PEY2 1/20 0.52
▸ TUBA1A Q71U36 1/20 0.52
▸ TUBA1C Q9BQE3 1/20 0.52
▸ TUBB6 Q9BUF5 1/20 0.52

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
SCHEMBL22772263 0.89 USP8 (0.51) CYP3A4CYP2C19CYP1A2NCOA1NCOA3
SCHEMBL21647176 0.88 USP8 (0.72) CYP3A4CYP2C19CYP1A2NCOA1NCOA3
SCHEMBL23473437 0.86 USP8 (0.58) CYP3A4CYP2C19CYP1A2NCOA1NCOA3
SCHEMBL6612282 0.81 TUBB4A (0.76) CYP3A4CYP2C19CYP1A2NCOA1NCOA3
SCHEMBL21647169 0.80 CYP1A2 (0.73) CYP3A4CYP2C19CYP1A2NCOA1NCOA3
SCHEMBL16704751 0.80 CYP1A1 (0.76) CYP3A4CYP2C19CYP1A2NCOA1NCOA3
SCHEMBL27381836 0.80 CYP1A2 (0.73) CYP3A4CYP2C19CYP1A2NCOA1NCOA3
SCHEMBL21668254 0.80 USP8 (0.51) CYP3A4CYP2C19CYP1A2NCOA1NCOA3
SCHEMBL4649487 0.80 CYP3A4 (0.76) CYP3A4CYP2C19CYP1A2NCOA1NCOA3
SCHEMBL29612043 0.80 TERT (0.77) CYP3A4CYP2C19CYP1A2NCOA1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110790739-B Compounds for treating neurological diseases and uses thereof 陕西麦科奥特科技有限公司 2021-10-01 — — CN disclosed
EP-3831821-A1 COMPOUND FOR TREATING NERVOUS SYSTEM DISEASES AND USE THEREOF Shaanxi Micot Technology Limited Company (CN) 2021-06-09 — — EP disclosed
EP-3831821-A1 COMPOUND FOR TREATING NERVOUS SYSTEM DISEASES AND USE THEREOF Shaanxi Micot Technology Limited Company (CN) 2021-06-09 — — EP disclosed
US-20200390755-A1 COMPOUND FOR TREATING NERVOUS SYSTEM DISEASES AND USE THEREOF SHAANXI MICOT TECHNOLOGY CO., LTD. (CN) 2020-12-17 — — US disclosed
US-20200390755-A1 COMPOUND FOR TREATING NERVOUS SYSTEM DISEASES AND USE THEREOF SHAANXI MICOT TECHNOLOGY CO., LTD. (CN) 2020-12-17 — — US disclosed
CN-110790739-A Compounds for treating neurological diseases and uses thereof 陕西麦科奥特科技有限公司 2020-02-14 — — CN disclosed
WO-2020024977-A1 COMPOUND FOR TREATING NERVOUS SYSTEM DISEASES AND USE THEREOF 陕西麦科奥特科技有限公司 2020-02-06 — — WO disclosed
WO-2020024977-A1 COMPOUND FOR TREATING NERVOUS SYSTEM DISEASES AND USE THEREOF 陕西麦科奥特科技有限公司 2020-02-06 — — WO 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 (1 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-20200390755-A1 COMPOUND FOR TREATING NERVOUS SYSTEM DISEASES AND USE THEREOF MAPT, PYGB, SLC6A2 CYP3A4 184/4885CYP2C19 123/4885CYP1A2 68/4885

“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.

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