SCHEMBL22024005

SCHEMBL22024005

CCCC(C)(CCC)c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
KIF11 P52732 4/20 0.40
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 3/20 0.33
USP2 O75604 1/20 0.33
RAB9A P51151 1/20 0.33
CYP17A1 P05093 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
AR P10275 1/20 0.31
CHRM5 P08912 1/20 0.31
CHKA P35790 1/20 0.31
LOXL2 Q9Y4K0 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
SCHEMBL18612742 0.92 ESR1 (0.40) ESR1ESR2KIF11CYP3A4CYP2D6
SCHEMBL13370709 0.91 ESR1 (0.42) ESR1ESR2KIF11CYP3A4CYP2D6
SCHEMBL21185893 0.90 ESR1 (0.39) ESR1ESR2KIF11CYP3A4CYP2D6
SCHEMBL21695082 0.89 CNR2 (0.39) ESR1ESR2KIF11CYP3A4CYP2D6
SCHEMBL19440675 0.87 CYP3A4 (0.40) ESR1ESR2KIF11CYP3A4CYP2D6
SCHEMBL19059382 0.85 CYP3A4 (0.39) ESR1ESR2KIF11CYP3A4CYP2D6
SCHEMBL24871939 0.84 CNR2 (0.40) KIF11CYP3A4CYP2D6CYP19A1LMNA
SCHEMBL19274594 0.84 CYP3A4 (0.38) ESR1ESR2KIF11CYP3A4CYP2D6
SCHEMBL24475344 0.84 CNR2 (0.40) KIF11CYP3A4CYP2D6CYP19A1LMNA
SCHEMBL19223950 0.84 CNR2 (0.40) KIF11CYP3A4CYP2D6CYP19A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730723-B2 Compounds and methods for treating viral infections LEXICON PHARMACEUTICALS, INC. (US) 2023-08-22 US disclosed
US-11724998-B2 PXR agonists and uses thereof for gut barrier dysfunction treatment and prevention ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2023-08-15 US disclosed
US-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-26 US disclosed
EP-3561876-B1 DISPLAY NOVALED GMBH (DE) 2022-02-16 EP 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 (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-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ESR1 3535/4885ESR2 2587/4885KIF11 4586/4885
US-11730723-B2 Compounds and methods for treating viral infections EIF2AK2, SARS1, MAVS ESR1 4302/4885ESR2 3222/4885KIF11 1992/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF ESR1 1662/4885ESR2 2553/4885KIF11 4086/4885
US-11724998-B2 PXR agonists and uses thereof for gut barrier dysfunction treatment and prevention NR1H2, NR1H4, NR1H3 ESR1 731/4885ESR2 207/4885KIF11 4628/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF ESR1 1662/4885ESR2 2553/4885KIF11 4086/4885

“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.