SCHEMBL21775617

SCHEMBL21775617

CC(C)NC(Oc1ccc(OCCOCC2CCC2)cc1)C(C)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ADRB2 P07550 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ TMEM97 Q5BJF2 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ADRB3 P13945 1/20 0.37

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
SCHEMBL9661057 0.96 ADRB1 (0.48) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL875694 0.83 ADRB1 (0.58) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL9621528 0.78 CYP1A2 (0.42) CYP2D6MEN1CYP1A2KMT2AKDM4E
SCHEMBL11247586 0.76 ADRB1 (0.75) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL6222183 0.75 CARM1 (0.38) ADRB2KDM4EALDH1A1
SCHEMBL11250117 0.74 PARP15 (0.46) ADRB1ADRB2ADRB3
SCHEMBL11052326 0.74 ALDH1A1 (0.36) LMNAGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL10528219 0.73 ADRB1 (0.47) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL7289414 0.73 ADRB1 (0.60) ADRB1LMNACYP2D6MEN1CYP1A2
Cicloprolol SCHEMBL9680771 0.72 ADRB1 (0.80) ADRB1LMNACYP2D6MEN1CYP1A2

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-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
CN-110831584-A Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2020-02-21 — — 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 (2 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-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 ADRB1 129/4885LMNA 1421/4885CYP2D6 9/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A ADRB1 208/4885LMNA 2085/4885CYP2D6 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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