SCHEMBL25007218

SCHEMBL25007218

CCCCCCC(C)(C)c1ccccc1N

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 14/20 0.54
▸ CNR1 P21554 13/20 0.54
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL7174292 1.00 CNR2 (0.54) CNR2CNR1CYP1A2CYP2C9CYP2C19
SCHEMBL14840318 1.00 CNR2 (0.54) CNR2CNR1CYP1A2CYP2C9CYP2C19
Bromide SCHEMBL9711150 0.98 CNR2 (0.52) CNR2CNR1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9420750 0.98 CNR2 (0.52) CNR2CNR1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL28440141 0.98 CNR2 (0.52) CNR2CNR1CYP1A2CYP2C9CYP2C19
Water SCHEMBL7549510 0.98 CNR2 (0.52) CNR2CNR1CYP1A2CYP2C9CYP2C19
SCHEMBL11445241 0.87 CNR2 (0.46) CNR2CNR1
SCHEMBL22877802 0.86 CNR2 (0.47) CNR2CNR1CYP1A2CYP2C9CYP2C19
SCHEMBL6470377 0.85 CNR1 (0.38) CNR2CNR1CYP1A2CYP2C9CYP2C19
SCHEMBL11216774 0.85 CNR2 (0.43) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 — — 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 (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-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 CNR2 130/4885CNR1 98/4885CYP1A2 40/4885

“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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