SCHEMBL425344

SCHEMBL425344

CC(C)CN1CCC(C(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.42
HRH3 Q9Y5N1 3/20 0.35
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BIRC2 Q13490 1/20 0.30
HSD11B1 P28845 1/20 0.30
MGAT2 Q10469 1/20 0.30
POLB P06746 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
SCHEMBL425355 0.88 TSHR (0.43) PIK3CDHRH3CYP2D6KCNH2TSHR
SCHEMBL21660827 0.85 PIK3CD (0.40) PIK3CDHRH3CYP2D6KCNH2TSHR
SCHEMBL425363 0.83 PIK3CD (0.48) PIK3CDHTTL3MBTL1MEN1KMT2A
SCHEMBL12062307 0.82 KDM4E (0.35) HRH3CYP2D6KCNH2TSHRNPSR1
SCHEMBL21661084 0.82 PIK3CD (0.38) PIK3CDHRH3CYP2D6TSHRNPSR1
SCHEMBL12062325 0.82 KDM4E (0.35) HRH3CYP2D6KCNH2TSHRNPSR1
SCHEMBL12062323 0.82 KDM4E (0.35) HRH3CYP2D6KCNH2TSHRNPSR1
SCHEMBL12062301 0.82 KDM4E (0.35) HRH3CYP2D6KCNH2TSHRNPSR1
SCHEMBL426516 0.81 HTT (0.44) PIK3CDHRH3CYP2D6KCNH2TSHR
SCHEMBL12560562 0.77 HSD11B1 (0.43) HRH3CYP2D6KCNH2TSHRNPSR1

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-20220177508-A1 C10-Cyclic Substituted 13-Membered Macrolides and Uses Thereof ZIKANI THERAPEUTICS, INC. 2022-06-09 US disclosed
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 (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-20220177508-A1 C10-Cyclic Substituted 13-Membered Macrolides and Uses Thereof RPS14, RPL12, RPL13A PIK3CD 1374/4885HRH3 4226/4885CYP2D6 2066/4885
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 PIK3CD 2864/4885HRH3 194/4885CYP2D6 2/4885
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 PIK3CD 2864/4885HRH3 194/4885CYP2D6 2/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 PIK3CD 2864/4885HRH3 194/4885CYP2D6 2/4885

“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.