SCHEMBL1108183

SCHEMBL1108183

CCCCN(Cc1ccc(CN(CCC(C)(C)C)C(=N)NC(=N)Nc2ccc(Cl)cc2)cc1)C(=N)NC(=N)Nc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
HDAC6 Q9UBN7 4/20 0.38
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
LMNA P02545 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTBP1 P26599 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
SCHEMBL13953641 0.96 CNR2 (0.39) CNR2GAAMAPTHDAC6HDAC3
SCHEMBL1103758 0.93 MEN1 (0.40) GAAMAPTLMNAMEN1KMT2A
SCHEMBL8963242 0.93 CNR2 (0.39) CNR2GAAMAPTHDAC6HDAC3
SCHEMBL1171548 0.92 CNR2 (0.45) CNR2GAAMAPTHDAC6HDAC3
SCHEMBL1170158 0.88 CNR2 (0.44) CNR2GAAMAPTHDAC6HDAC3
SCHEMBL13523185 0.87 CNR2 (0.34) CNR2GAAMAPTHDAC6HDAC3
SCHEMBL13523178 0.83 NPC1 (0.45) GAAMAPTLMNAMEN1KMT2A
SCHEMBL1170264 0.83 NPC1 (0.45) GAAMAPTLMNAMEN1KMT2A
SCHEMBL13523186 0.83 CNR2 (0.37) CNR2GAAMAPTHDAC6HDAC3
SCHEMBL13521670 0.82 KMT2A (0.36) GAALMNAMEN1KMT2ASMN1; SMN2

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
US-8153617-B2 Bridged polycyclic compound based compositions for coating oral surfaces in humans ALLACCEM, INC. (US) 2012-04-10 US disclosed
US-20100004218-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR RENAL THERAPY ALLACCEM, INC. 2010-01-07 US disclosed
US-20090105262-A1 Bridged polycyclic compound based compositions for coating oral surfaces in humans ALLACCEM, INC. 2009-04-23 US disclosed
US-20090074833-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING BONE RESORPTION ALLACCEM, INC. 2009-03-19 US disclosed
US-20090054528-A1 Bridged polycyclic compound based compositions for coating oral surfaces in pets ALLACCEM, INC. 2009-02-26 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-20090105262-A1 Bridged polycyclic compound based compositions for coating oral surfaces in humans PAICS, KRTCAP2, OSTC CNR2 671/4885GAA 387/4885MAPT 3045/4885
US-20090054528-A1 Bridged polycyclic compound based compositions for coating oral surfaces in pets PAICS, SLC16A8, CAD CNR2 533/4885GAA 535/4885MAPT 2868/4885
US-20100004218-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR RENAL THERAPY PKD1, PKD2, PAICS CNR2 1657/4885GAA 1197/4885MAPT 2352/4885
US-20090074833-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING BONE RESORPTION BMP2, BMP1, BMP6 CNR2 37/4885GAA 2263/4885MAPT 3853/4885

“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.