SCHEMBL19479109

SCHEMBL19479109

COc1ccc(OC(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.62
▸ ALDH1A1 P00352 3/20 0.57
▸ ALOX15 P16050 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ STS P08842 1/20 0.49
▸ GPR119 Q8TDV5 1/20 0.48
▸ HTT P42858 2/20 0.48
▸ ATM Q13315 1/20 0.48
▸ MMP1 P03956 4/20 0.46
▸ MMP3 P08254 4/20 0.46
▸ MMP7 P09237 4/20 0.46
▸ MMP9 P14780 4/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ TAS1R2 Q8TE23 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
SCHEMBL16825755 0.88 ALDH1A1 (0.59) HPGDALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL16846161 0.88 KMT2A (0.56) HPGDALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL16825671 0.88 KMT2A (0.56) HPGDALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL16846219 0.88 ALDH1A1 (0.59) HPGDALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL16825643 0.88 ALDH1A1 (0.59) HPGDALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL16846200 0.88 KMT2A (0.56) HPGDALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL18135537 0.88 ALOX15 (0.54) HPGDALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL19479111 0.78 HPGD (0.68) HPGDALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL28494646 0.78 MEN1 (0.67) HPGDALDH1A1KDM4EKMT2ALMNA
SCHEMBL1458624 0.78 L3MBTL1 (0.73) ALDH1A1ALOX15KDM4EKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-10-05 — — US disclosed
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-10-05 — — US disclosed
US-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF KANSAS 2021-10-21 — — US disclosed
EP-3442955-B1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE US HEALTH (US) 2021-09-29 — — EP disclosed
WO-2017181004-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-10-19 — — 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 (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-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, CHRM2 HPGD 3694/4885ALDH1A1 2789/4885ALOX15 3780/4885
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, DRD2 HPGD 3456/4885ALDH1A1 2379/4885ALOX15 3753/4885

“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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