SCHEMBL21784727

SCHEMBL21784727

CCCCC(C)(CC)c1ccncn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.40
▸ CYP19A1 P11511 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ LMNA P02545 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ TSHR P16473 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
SCHEMBL23842514 0.93 CYP2D6 (0.41) CYP2D6CYP19A1CYP3A4FAAHLMNA
SCHEMBL15979319 0.90 CYP19A1 (0.37) CYP2D6CYP19A1CYP3A4FAAHHSP90AA1
SCHEMBL22964913 0.89 FAAH (0.39) CYP2D6CYP19A1CYP3A4FAAHLMNA
SCHEMBL18612676 0.89 FAAH (0.39) CYP2D6CYP19A1CYP3A4FAAHLMNA
SCHEMBL22828519 0.87 FAAH (0.40) CYP2D6CYP19A1CYP3A4FAAHLMNA
SCHEMBL24871950 0.87 FAAH (0.40) CYP2D6CYP19A1CYP3A4FAAHLMNA
SCHEMBL24872011 0.87 FAAH (0.40) CYP2D6CYP19A1CYP3A4FAAHLMNA
SCHEMBL18557088 0.87 FAAH (0.40) CYP2D6CYP19A1CYP3A4FAAHLMNA
SCHEMBL23842473 0.86 CYP19A1 (0.41) CYP2D6CYP19A1CYP3A4HSP90AA1
SCHEMBL18415044 0.84 FAAH (0.38) CYP2D6CYP19A1CYP3A4FAAHLMNA

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-11542293-B2 Sting modulator compounds, and methods of making and using TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-03 — — US disclosed
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-06-10 — — 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-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

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-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses IFNG, IFNAR1, TYK2 CYP2D6 2640/4885CYP19A1 2267/4885CYP3A4 2266/4885
US-11542293-B2 Sting modulator compounds, and methods of making and using STING1, CGAS, MAVS CYP2D6 4461/4885CYP19A1 3245/4885CYP3A4 4560/4885
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS CYP2D6 4461/4885CYP19A1 3245/4885CYP3A4 4560/4885
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 CYP2D6 2640/4885CYP19A1 2267/4885CYP3A4 2266/4885

“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.

Send feedback