SCHEMBL21084877

SCHEMBL21084877

CC(C)C1CCN(C)C(C(C)C)C1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.30
CHRNA3 P32297 2/20 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
SCHEMBL7600258 0.78
SCHEMBL13620950 0.78
SCHEMBL23889383 0.77
SCHEMBL20803912 0.77
SCHEMBL24970717 0.77
SCHEMBL19099865 0.77 MEN1 (0.35) CHRNB4CHRNA3
SCHEMBL25019589 0.77 NCF1 (0.30)
SCHEMBL21275728 0.76 PIK3CD (0.31)
SCHEMBL24799217 0.76 MEN1 (0.30)
SCHEMBL24941858 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045206-B2 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2023-02-15 EP disclosed
US-11213520-B2 Phenylpyrazolylacetamide compounds and derivatives as CDK8/CDK19 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-01-04 US disclosed
US-10919913-B2 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-p53 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-16 US disclosed
US-20190290637-A1 NEW PHENYLPYRAZOLYLACETAMIDE COMPOUNDS AND DERIVATIVES AS CDK8/CDK19 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-09-26 US disclosed
US-20190169209-A1 NEW SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-06-06 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-11213520-B2 Phenylpyrazolylacetamide compounds and derivatives as CDK8/CDK19 inhibitors CDK9, CDK19, CDK8 CHRNB4 4555/4885CHRNA3 3809/4885
US-20190290637-A1 NEW PHENYLPYRAZOLYLACETAMIDE COMPOUNDS AND DERIVATIVES AS CDK8/CDK19 INHIBITORS CDK9, CDK19, CDK8 CHRNB4 4553/4885CHRNA3 3757/4885
US-10919913-B2 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-p53 inhibitors TP53, MDM2, FOXM1 CHRNB4 4714/4885CHRNA3 3980/4885
US-20190169209-A1 NEW SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS TP53, MDM2, FOXM1 CHRNB4 4629/4885CHRNA3 3662/4885

“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.