SCHEMBL21668586

SCHEMBL21668586

O=c1cc(-c2ccc(N3CCCCC3)cc2)oc2c(OCc3ccccc3)c(OCc3ccccc3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.49
▸ CYP1A1 P04798 3/20 0.48
▸ CYP1B1 Q16678 2/20 0.48
▸ CYP1A2 P05177 2/20 0.47
▸ USP8 P40818 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
SCHEMBL21668232 0.89 P2RY12 (0.51) P2RY12CYP1A1CYP1B1CYP1A2
SCHEMBL22772259 0.87 P2RY12 (0.47) P2RY12CYP1A1CYP1B1CYP1A2
SCHEMBL21668246 0.83 CYP1A2 (0.53) CYP1A1CYP1B1CYP1A2
SCHEMBL19202637 0.81 TNKS (0.51) CYP1A1CYP1B1CYP1A2
SCHEMBL21647149 0.79 CYP3A4 (0.63) CYP1A1CYP1B1CYP1A2USP8
SCHEMBL26021468 0.77 CYP1A1 (0.44) P2RY12CYP1A1CYP1B1CYP1A2
SCHEMBL28848511 0.77 USP8 (0.70) USP8
SCHEMBL14696896 0.74 CYP1A1 (0.81) CYP1A1CYP1B1CYP1A2
SCHEMBL31632460 0.74 CYP1A1 (0.53) CYP1A1CYP1B1CYP1A2
SCHEMBL21647176 0.74 USP8 (0.72) CYP1A1CYP1B1CYP1A2USP8

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-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
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 P2RY12 577/4885CYP1A1 283/4885CYP1B1 277/4885

“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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