SCHEMBL22023930

SCHEMBL22023930

CCCCCCC(C)(CCCCCC)c1c[nH]cn1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.32
ADORA2B P29275 1/20 0.31
CNR2 P34972 1/20 0.30
KMT2A Q03164 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
SCHEMBL19788362 1.00 KDR (0.32) KDRADORA2BCNR2KMT2A
SCHEMBL21719823 1.00 KDR (0.32) KDRADORA2BCNR2KMT2A
SCHEMBL23709527 0.98 KDR (0.31) KDRADORA2B
SCHEMBL22024734 0.97 KMT2A (0.30) KMT2A
SCHEMBL22023802 0.86 CNR2 (0.36) CNR2
SCHEMBL22023933 0.79 CNR1 (0.30) CNR2
SCHEMBL23502540 0.76 CNR2 (0.34) CNR2
SCHEMBL23502537 0.76 CNR2 (0.34) CNR2
SCHEMBL26018134 0.74 GPR84 (0.33) ADORA2BCNR2
SCHEMBL23845817 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents ENANTA PHARMACEUTICALS, INC. 2023-10-31 US disclosed
US-20230038124-A1 NOVEL SUBSTITUTED CONDENSED RING COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2023-02-09 US disclosed
US-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 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 (4 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-11802125-B2 Functionalized heterocyclic compounds as antiviral agents HAVCR2, HDGF, HCCS KDR 3916/4885ADORA2B 2003/4885CNR2 3458/4885
US-20230038124-A1 NOVEL SUBSTITUTED CONDENSED RING COMPOUND CYP51A1, HDAC11, MMP9 KDR 4791/4885ADORA2B 4515/4885CNR2 4103/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF KDR 3782/4885ADORA2B 1928/4885CNR2 2902/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF KDR 3782/4885ADORA2B 1928/4885CNR2 2902/4885

“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.