SCHEMBL6714730

SCHEMBL6714730

CC(C)(C)N1CCN(C(=O)Nc2ccccc2C(=O)O)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 12/20 0.60
▸ RBP4 P02753 3/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ FAAH O00519 1/20 0.52
▸ ABCC1 P33527 1/20 0.51

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
Hydrochloric Acid SCHEMBL6107827 0.99 HCAR2 (0.59) HCAR2RBP4CYP2D6CYP2C19KDM4E
SCHEMBL6105616 0.86 KDM4E (0.73) RBP4KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6107814 0.83 HCAR2 (0.54) HCAR2RBP4CYP2D6CYP2C19KDM4E
SCHEMBL10245047 0.81 KDM4E (0.65) RBP4CYP2C19KDM4EALDH1A1HPGD
SCHEMBL10282564 0.80 KDM4E (0.73) RBP4KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL10245197 0.80 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDALOX12
SCHEMBL14032242 0.79 RBP4 (0.61) HCAR2RBP4CYP2D6CYP2C19KDM4E
SCHEMBL14582622 0.78 ABCC1 (0.74) HCAR2RBP4CYP2D6CYP2C19KDM4E
SCHEMBL6108086 0.76 F10 (0.59) SMN1; SMN2
SCHEMBL14032693 0.76 RBP4 (0.58) HCAR2RBP4CYP2D6CYP2C19KDM4E

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-20040029874-A1 Aromatic amides BEIGHT DOUGLAS WADE (US) 2004-02-12 — — 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-20040029874-A1 Aromatic amides F11, F12, F5 HCAR2 1559/4885RBP4 4083/4885CYP2D6 829/4885

“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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