SCHEMBL21793185

SCHEMBL21793185

CN(C)CC(O)COc1ccccc1Oc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.59
▸ ABCB1 P08183 2/20 0.54
▸ CYP2D6 P10635 4/20 0.54
▸ HTR2A P28223 2/20 0.54
▸ HTR1A P08908 2/20 0.52
▸ ADRB2 P07550 3/20 0.50
▸ ADRB1 P08588 3/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ HTT P42858 1/20 0.48
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ ADRB3 P13945 1/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ AGTR1 P30556 1/20 0.46

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
SCHEMBL258823 0.84 HIF1A (0.75) HIF1AABCB1CYP2D6ADRB2ADRB1
SCHEMBL16727482 0.78 ABCB1 (0.70) ABCB1ADRB2ADRB1ADRB3
SCHEMBL11850939 0.77 ADRB2 (0.73) ABCB1CYP2D6HTR2AHTR1AADRB2
SCHEMBL10336594 0.76 NR2E1 (0.69) ABCB1CYP2D6HTR2AHTR1AADRB2
SCHEMBL10805464 0.75 CYP2D6 (0.74) ABCB1CYP2D6HTR2AHTR1A
SCHEMBL30001633 0.75 CYP2D6 (0.74) ABCB1CYP2D6HTR2AHTR1A
SCHEMBL16727483 0.75 ABCB1 (0.75) ABCB1ADRB2ADRB1HTTADRB3
SCHEMBL8226025 0.74 HTR1A (0.51) HIF1AABCB1CYP2D6HTR2AHTR1A
Hydrochloric Acid SCHEMBL10806395 0.74 CYP2D6 (0.72) ABCB1CYP2D6HTR2AHTR1A
SCHEMBL8706577 0.73 CYP2D6 (0.64) ABCB1CYP2D6HTR2AADRB2ADRB1

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-110831584-B Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2023-03-10 — — CN disclosed
US-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof Exciva GmbH (DE) 2022-10-25 — — US disclosed
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 — — US disclosed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 — — 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-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof HTR2A, HTR2C, CYP3A43 HIF1A 4311/4885ABCB1 50/4885CYP2D6 9/4885
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 HIF1A 4311/4885ABCB1 50/4885CYP2D6 9/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A HIF1A 4527/4885ABCB1 59/4885CYP2D6 17/4885

“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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