SCHEMBL12084802

SCHEMBL12084802

C=C(OCC)N1CCC(C(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
CYP2D6 P10635 2/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GAA P10253 3/20 0.38
ALDH1A1 P00352 5/20 0.37
HSD11B1 P28845 1/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
EPHX2 P34913 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL15339812 0.94 ALDH1A1 (0.37) MAPTCYP2D6KCNH2HRH3GAA
SCHEMBL12084809 0.86 CYP2D6 (0.37) CYP2D6KCNH2HRH3HSD11B1L3MBTL1
SCHEMBL12084887 0.84 CYP2D6 (0.38) CYP2D6KCNH2HRH3HSD11B1L3MBTL1
SCHEMBL12084799 0.81 CYP2D6 (0.36) CYP2D6KCNH2HRH3HSD11B1EPHX2
SCHEMBL12084816 0.81 CYP2D6 (0.34) CYP2D6KCNH2HRH3HSD11B1L3MBTL1
SCHEMBL12084805 0.80 CYP2D6 (0.36) CYP2D6KCNH2HRH3HSD11B1EPHX2
SCHEMBL12083945 0.80 GAA (0.59) MAPTCYP2D6KCNH2HRH3GAA
SCHEMBL12084808 0.79 CYP2D6 (0.42) CYP2D6KCNH2HRH3HSD11B1L3MBTL1
SCHEMBL12084748 0.79 CYP2D6 (0.35) CYP2D6KCNH2HRH3HSD11B1EPHX2
SCHEMBL26151575 0.78 HRH3 (0.41) MAPTCYP2D6KCNH2HRH3HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219956-A1 QUINAZOLINE COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF BETTA PHARMACEUTICALS CO.,LTD (CN) 2023-07-13 US disclosed
US-20130281476-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 US disclosed
US-8258148-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-04 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 (2 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-20130281476-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 MAPT 2337/4885CYP2D6 1646/4885KCNH2 571/4885
US-20230219956-A1 QUINAZOLINE COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ABCG2, NQO2 MAPT 3591/4885CYP2D6 190/4885KCNH2 1145/4885

“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.