SCHEMBL17712862

SCHEMBL17712862

NC(=O)c1ccc(C(=O)C(O)c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.74
▸ CES2 O00748 2/20 0.74
▸ CES1 P23141 2/20 0.74
▸ KDM4E B2RXH2 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ TDP1 Q9NUW8 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ PARP1 P09874 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ MAPK1 P28482 1/20 0.52
▸ PARP10 Q53GL7 4/20 0.48
▸ PLA2G10 O15496 1/20 0.48

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
SCHEMBL17712861 0.94 CES2 (0.71) LMNACES2CES1KDM4EALDH1A1
Benzoin SCHEMBL418308 0.88 CES2 (0.88) LMNACES2CES1KDM4EALDH1A1
Benzoin SCHEMBL28211858 0.88 CES2 (0.88) LMNACES2CES1KDM4EALDH1A1
Benzoin SCHEMBL11590328 0.88 CES2 (0.95) LMNACES2CES1KDM4EALDH1A1
Benzoin SCHEMBL5833429 0.86 CES2 (1.00) LMNACES2CES1KDM4EALDH1A1
Benzoin SCHEMBL901258 0.86 CES2 (1.00) LMNACES2CES1KDM4EALDH1A1
Benzoin SCHEMBL2025536 0.86 CES2 (1.00) LMNACES2CES1KDM4EALDH1A1
Benzoin SCHEMBL145 0.86 CES2 (1.00) LMNACES2CES1KDM4EALDH1A1
Benzoin SCHEMBL10665271 0.86 CES2 (1.00) LMNACES2CES1KDM4EALDH1A1
Benzoin SCHEMBL28120851 0.86 CES2 (1.00) LMNACES2CES1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212637-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LTD (GB) 2021-06-02 — — EP disclosed
EP-3362446-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A MORPHOLINE MOIETY INDIVIOR UK LTD (GB) 2020-12-02 — — EP disclosed
US-10654842-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2020-05-19 — — US disclosed
US-10577361-B2 Dopamine D3 receptor antagonists having a morpholine moiety INDIVIOR UK LIMITED (GB) 2020-03-03 — — US disclosed
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2019-10-03 — — US disclosed
US-10239870-B2 Dopamine D3 receptor antagonists INDIVIOR UK LIMITED (GB) 2019-03-26 — — US disclosed
US-20180297990-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A MORPHOLINE MOIETY INDIVIOR INC. 2018-10-18 — — US disclosed
US-20180282318-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS INDIVIOR UK LIMITED (GB) 2018-10-04 — — US disclosed
EP-3362446-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A MORPHOLINE MOIETY Indivior UK Limited (GB) 2018-08-22 — — EP disclosed
US-10000477-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2018-06-19 — — US disclosed
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2017-11-23 — — US disclosed
EP-3212637-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS Indivior UK Limited (GB) 2017-09-06 — — EP disclosed
WO-2017064488-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A MORPHOLINE MOIETY INDIVIOR UK LIMITED (GB) 2017-04-20 — — WO disclosed
WO-2016067043-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LIMITED (GB) 2016-05-06 — — 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 (8 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-20180282318-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS DRD3, DRD2, DRD4 LMNA 4734/4885CES2 892/4885CES1 3703/4885
US-10577361-B2 Dopamine D3 receptor antagonists having a morpholine moiety DRD3, DRD2, SLC6A3 LMNA 4648/4885CES2 736/4885CES1 3521/4885
US-10000477-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 LMNA 4686/4885CES2 993/4885CES1 3976/4885
US-20180297990-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A MORPHOLINE MOIETY DRD3, DRD2, SLC6A3 LMNA 4648/4885CES2 736/4885CES1 3521/4885
US-10654842-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 LMNA 4686/4885CES2 993/4885CES1 3976/4885
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 LMNA 4686/4885CES2 993/4885CES1 3976/4885
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 LMNA 4686/4885CES2 993/4885CES1 3976/4885
US-10239870-B2 Dopamine D3 receptor antagonists DRD3, DRD2, DRD4 LMNA 4734/4885CES2 892/4885CES1 3703/4885

“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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