SCHEMBL13266880

SCHEMBL13266880

O=C1CN(C(=O)c2ccc(-c3ccc(CN4CCOCC4)cc3)cc2)CCN1O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.61
▸ HPGD P15428 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ GAA P10253 1/20 0.51
▸ LSS P48449 2/20 0.49
▸ CHKA P35790 1/20 0.49
▸ AKR1C3 P42330 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CDK9 P50750 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
SCHEMBL13244709 0.90 HRH3 (0.58) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL1014002 0.79 HPGD (0.86) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL1450838 0.77 HRH3 (0.78) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL13267473 0.77 HRH3 (0.60) HRH3HPGDSMN1; SMN2AKR1C3
SCHEMBL13636330 0.76 HRH3 (1.00) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL3456205 0.76 HPGD (1.00) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL254490 0.76 HRH3 (0.72) HRH3HPGD
SCHEMBL10184001 0.75 HRH3 (0.78) HRH3HPGDSMN1; SMN2USP2TSHR
Hydrochloric Acid SCHEMBL1177194 0.75 HRH3 (0.97) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL18023314 0.74 HRH3 (0.64) HRH3HPGDSMN1; SMN2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 — — US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 — — 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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HRH3 4192/4885HPGD 307/4885SMN1; SMN2 2202/4885

“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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