SCHEMBL426516

SCHEMBL426516

CC(C)CN1CCCC(C(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2D6 P10635 3/20 0.37
HRH3 Q9Y5N1 2/20 0.37
KCNH2 Q12809 1/20 0.37
PIK3CD O00329 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
HSD11B1 P28845 1/20 0.32
MGAT2 Q10469 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 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
SCHEMBL425355 0.92 TSHR (0.43) HTTL3MBTL1TSHRNPSR1CYP2D6
SCHEMBL3419543 0.86 KDM4E (0.39) HTTL3MBTL1TSHRNPSR1CYP2D6
SCHEMBL425344 0.81 PIK3CD (0.42) HTTL3MBTL1TSHRNPSR1CYP2D6
SCHEMBL23080343 0.79 HTT (0.36) HTTL3MBTL1NPSR1HRH3PIK3CD
SCHEMBL22142323 0.79 HSD11B1 (0.49) HTTL3MBTL1TSHRNPSR1CYP2D6
SCHEMBL18199673 0.79 HSD11B1 (0.49) HTTL3MBTL1TSHRNPSR1CYP2D6
SCHEMBL23995928 0.79 HSD11B1 (0.49) HTTL3MBTL1TSHRNPSR1CYP2D6
SCHEMBL12166745 0.77 TSHR (0.41) HTTL3MBTL1TSHRNPSR1CYP2D6
SCHEMBL21929570 0.77 PIK3CD (0.38) HTTL3MBTL1TSHRNPSR1CYP2D6
SCHEMBL3422467 0.77 PIK3CD (0.41) HTTL3MBTL1TSHRNPSR1CYP2D6

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-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 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 (3 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-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 HTT 2046/4885L3MBTL1 4580/4885TSHR 1567/4885
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 HTT 2046/4885L3MBTL1 4580/4885TSHR 1567/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 HTT 2046/4885L3MBTL1 4580/4885TSHR 1567/4885

“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.