SCHEMBL19987518

SCHEMBL19987518

CCCC(C)(C)c1ccc(F)cn1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ BRS3 P32247 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.31
▸ TRPV4 Q9HBA0 1/20 0.31

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
SCHEMBL22601465 0.86 CNR2 (0.38) —
SCHEMBL18415010 0.85 BRS3 (0.38) ALDH1A1BRS3PDE10ATRPV4
SCHEMBL19464697 0.82 ALDH1A1 (0.33) ALDH1A1BRS3PDE10A
SCHEMBL25564702 0.81 NFE2L2 (0.40) —
SCHEMBL21789410 0.79 CCR1 (0.40) ALDH1A1
SCHEMBL18852689 0.79 HPGD (0.40) ALDH1A1TRPV4
SCHEMBL23050895 0.78 KDM4E (0.39) PDE10A
SCHEMBL22601590 0.78 RAB9A (0.36) ALDH1A1
SCHEMBL23502493 0.77 PSMD14 (0.32) —
SCHEMBL18505949 0.77 ALDH1A1 (0.37) ALDH1A1BRS3PDE10ATRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11242332-B2 Method for producing benzimidazole derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-02-08 — — US disclosed
US-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 — — US disclosed
US-11059817-B2 Potent antiviral pyrazolopyridine compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-13 — — US disclosed
US-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-01 — — US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 — — US disclosed
US-20200071295-A1 METHOD FOR PRODUCING BENZIMIDAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2020-03-05 — — US disclosed
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2020-03-05 — — US disclosed
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 — — US disclosed
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 — — US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 — — US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 — — US 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 (11 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 ALDH1A1 1577/4885BRS3 315/4885PDE10A 1004/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 ALDH1A1 1577/4885BRS3 315/4885PDE10A 1004/4885
US-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses IFNG, IFNAR1, TYK2 ALDH1A1 4349/4885BRS3 1124/4885PDE10A 2766/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT ALDH1A1 263/4885BRS3 3757/4885PDE10A 3281/4885
US-11242332-B2 Method for producing benzimidazole derivative CYP3A4, CYP3A5, CYP3A43 ALDH1A1 268/4885BRS3 1324/4885PDE10A 3227/4885
US-20200071295-A1 METHOD FOR PRODUCING BENZIMIDAZOLE DERIVATIVE CYP3A4, CYP3A5, CYP3A43 ALDH1A1 268/4885BRS3 1324/4885PDE10A 3227/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF ALDH1A1 2352/4885BRS3 3189/4885PDE10A 2218/4885
US-11059817-B2 Potent antiviral pyrazolopyridine compounds MAVS, VRK1, VRK2 ALDH1A1 2083/4885BRS3 203/4885PDE10A 2027/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT ALDH1A1 263/4885BRS3 3757/4885PDE10A 3281/4885
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 ALDH1A1 4349/4885BRS3 1124/4885PDE10A 2766/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF ALDH1A1 2352/4885BRS3 3189/4885PDE10A 2218/4885

“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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