SCHEMBL10153844

SCHEMBL10153844

C1CCN(CCC2CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CHRM5 P08912 1/20 0.48
ADRA2C P18825 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT8 Q9NR22 1/20 0.37

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
SCHEMBL8587237 0.97 CYP1A2 (0.50) CYP1A2CHRM5ADRA2CHRH3ALDH1A1
SCHEMBL12945 0.92 CHRM5 (0.58) CYP1A2CHRM5ADRA2CHRH3
SCHEMBL3218288 0.92 CHRM5 (0.58) CYP1A2CHRM5ADRA2CHRH3
SCHEMBL30340999 0.92 CHRM5 (0.58) CYP1A2CHRM5ADRA2CHRH3
SCHEMBL10949210 0.90 CHRM5 (0.54) CYP1A2CHRM5ADRA2CHRH3
SCHEMBL7166922 0.87 CYP1A2 (0.44) CYP1A2CHRM5ADRA2CHRH3
SCHEMBL12038519 0.86 CYP1A2 (0.52) CYP1A2CHRM5ADRA2CHRH3CARM1
SCHEMBL14686114 0.86 DRD2 (0.48) CYP1A2CHRM5ADRA2CHRH3MAPT
SCHEMBL14081462 0.86 CYP1A2 (0.52) CYP1A2CHRM5ADRA2CHRH3CARM1
SCHEMBL14686115 0.86 DRD2 (0.48) CYP1A2CHRM5ADRA2CHRH3MAPT

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
WO-2017011214-A1 SUBSTITUTED AMINOQUINAZOLINE COMPOUNDS AS A2A ANTAGONIST MERCK SHARP & DOHME CORP. (US) 2017-01-19 WO disclosed
WO-2017008205-A1 SUBSTITUTED AMINOQUINAZOLINE COMPOUNDS AS A2A ANTAGONIST MERCK SHARP & DOHME CORP. (US) 2017-01-19 WO disclosed
US-8101550-B2 Anthranilic acid diamide derivative with hetero-aromatic and hetero-cyclic substituents BAYER CROPSCIENCE AG (DE) 2012-01-24 US disclosed
US-20100029478-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVE WITH HETERO-AROMATIC AND HETERO-CYCLIC SUBSTITUENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
WO-2007144100-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVE WITH HETERO-AROMATIC AND HETERO-CYCLIC SUBSTITUENTS BAYER CROPSCIENCE AG (DE) 2007-12-21 WO 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 (1 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-20100029478-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVE WITH HETERO-AROMATIC AND HETERO-CYCLIC SUBSTITUENTS DDT, ANTXR2, QDPR CYP1A2 64/4885CHRM5 420/4885ADRA2C 705/4885

“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.