SCHEMBL22772266

SCHEMBL22772266

[2H]C1([2H])CCN(c2ccc(-c3cc(=O)c4ccc(O)c(O)c4o3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 12/20 0.62
▸ KDM4E B2RXH2 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ MAPT P10636 3/20 0.58
▸ HPGD P15428 3/20 0.58
▸ ALOX15 P16050 3/20 0.58
▸ HSD17B10 Q99714 3/20 0.58
▸ TP53 P04637 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ BRD4 O60885 1/20 0.58
▸ IKBKB O14920 1/20 0.58
▸ CYP19A1 P11511 1/20 0.58
▸ MAOA P21397 1/20 0.58
▸ MAOB P27338 1/20 0.58
▸ NTRK2 Q16620 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ CYP2C9 P11712 2/20 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
SCHEMBL21647173 0.92 TERT (0.66) TERTKDM4EALDH1A1CYP3A4MAPT
SCHEMBL22789421 0.87 TERT (0.66) TERTKDM4EALDH1A1CYP3A4MAPT
SCHEMBL21668613 0.85 TERT (0.63) TERTKDM4EALDH1A1CYP3A4MAPT
SCHEMBL22789234 0.83 TERT (0.60) TERTKDM4EALDH1A1CYP3A4MAPT
SCHEMBL21647175 0.83 TERT (0.60) TERTKDM4EALDH1A1CYP3A4MAPT
SCHEMBL22772270 0.83 TERT (0.50) TERTKDM4EALDH1A1CYP3A4MAPT
SCHEMBL21647138 0.81 TERT (0.57) TERTKDM4EALDH1A1CYP3A4MAPT
SCHEMBL21647151 0.81 TERT (0.57) TERTKDM4EALDH1A1CYP3A4MAPT
SCHEMBL21647164 0.81 TERT (0.57) TERTKDM4EALDH1A1CYP3A4MAPT
SCHEMBL21647154 0.79 TERT (0.60) TERTKDM4EALDH1A1CYP3A4MAPT

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
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
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

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 TERT 1839/4885KDM4E 4063/4885ALDH1A1 787/4885

“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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