SCHEMBL16615574

SCHEMBL16615574

COc1c2n(cc(C(=O)NCc3ccc(F)cc3F)c1=O)CC1(O)CCCC1(C)C2=O

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL16615692 0.98 PDE10A (0.44) PDE10A
SCHEMBL17997171 0.98 PDE10A (0.44) PDE10A
SCHEMBL16615618 0.98 PDE10A (0.43) PDE10A
SCHEMBL16615540 0.98 PDE10A (0.43) PDE10A
SCHEMBL16615549 0.98 PDE10A (0.43) PDE10A
SCHEMBL16615641 0.98 PDE10A (0.43) PDE10A
SCHEMBL16615437 0.90 PDE10A (0.43) PDE10A
SCHEMBL16615573 0.89 SLC22A2 (0.53)
SCHEMBL16615586 0.88 PDE10A (0.43) PDE10A
SCHEMBL16615593 0.88 PDE10A (0.43) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10201533-B2 Substituted quinolizine derivatives useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-02-12 US disclosed
US-20180028509-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
US-20180028509-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
US-9861620-B2 Substituted quinolizine derivatives useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-01-09 US disclosed
US-20160228419-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 US disclosed
US-20160228419-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 US disclosed
WO-2015048363-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-02 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 (3 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-20160228419-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS NQO2, CYP3A5, QTRT1 PDE10A 1750/4885
US-20180028509-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS NQO2, CYP3A5, QTRT1 PDE10A 1750/4885
US-10201533-B2 Substituted quinolizine derivatives useful as HIV integrase inhibitors NQO2, CYP3A5, QTRT1 PDE10A 1750/4885

“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.