SCHEMBL21263205

SCHEMBL21263205

CC(C)c1ccc(F)c(C#N)c1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ EIF4A3 P38919 1/20 0.32
▸ CXCR2 P25025 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL13058551 0.84 CXCR2 (0.36) ALDH1A1TRPV4CXCR2
SCHEMBL19413483 0.82 ALDH1A1 (0.35) ALDH1A1TRPV4DRD2HTR2AHRH1
SCHEMBL22962276 0.81 TRPV4 (0.35) ALDH1A1TRPV4DRD2HTR2AHRH1
SCHEMBL12869001 0.81 GABRA1 (0.42) ALDH1A1TRPV4DRD2HTR2AHRH1
SCHEMBL10105645 0.78 USP8 (0.33) ALDH1A1TRPV4CXCR2
SCHEMBL12263092 0.78 MAPT (0.38) ALDH1A1EIF4A3KDM4EHPGD
SCHEMBL13058538 0.76 ALDH1A1 (0.53) ALDH1A1DRD2HTR2AHRH1CXCR2
SCHEMBL186689 0.75 TRPV4 (0.42) ALDH1A1TRPV4KDM4EHPGDHSD17B10
SCHEMBL13748964 0.75 TRPV4 (0.35) ALDH1A1TRPV4DRD2HTR2AHRH1
SCHEMBL12049608 0.73 CES2 (0.44) EIF4A3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774775-B1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-10-11 — — EP disclosed
EP-3752498-B1 SOMATOSTATIN MODULATORS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2023-06-28 — — EP disclosed
US-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 — — US disclosed
US-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 — — US disclosed
US-10987359-B2 Oxadiazepinone derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2021-04-27 — — US disclosed
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-11 — — US disclosed
US-20210024503-A1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-01-28 — — US disclosed
US-20200197408-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2020-06-25 — — US disclosed
WO-2019198024-A1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-10-17 — — WO disclosed
WO-2019157458-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2019-08-15 — — 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 (5 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-10987359-B2 Oxadiazepinone derivatives and methods of treating hepatitis B infections HCCS, SLC10A1, PYGL ALDH1A1 554/4885TRPV4 4627/4885DRD2 2856/4885
US-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 ALDH1A1 1756/4885TRPV4 464/4885DRD2 205/4885
US-20210024503-A1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, CCNI, IRF3 ALDH1A1 2920/4885TRPV4 4117/4885DRD2 3713/4885
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 ALDH1A1 4626/4885TRPV4 1233/4885DRD2 2265/4885
US-20200197408-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HCCS, SLC10A1, PYGL ALDH1A1 554/4885TRPV4 4627/4885DRD2 2856/4885

“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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