SCHEMBL10153324

SCHEMBL10153324

CC(CCn1cccn1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.34
DAO P14920 1/20 0.34
LMNA P02545 3/20 0.33
GAA P10253 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
THRB P10828 2/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 2/20 0.30
NOS1 P29475 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
SCHEMBL15370212 0.81 FDPS (0.46) FDPSTSHRGAAMAPTADRB2
SCHEMBL278529 0.80 L3MBTL1 (0.48) FDPSL3MBTL1TSHRDAOLMNA
SCHEMBL21996528 0.79 TSHR (0.44) FDPSL3MBTL1TSHRDAOLMNA
SCHEMBL31581978 0.79 TSHR (0.44) FDPSL3MBTL1TSHRDAOLMNA
SCHEMBL10192257 0.77 FDPS (0.38) FDPSL3MBTL1TSHRDAOLMNA
SCHEMBL438475 0.76 L3MBTL1 (0.48) FDPSL3MBTL1TSHRDAOLMNA
SCHEMBL19222041 0.74 LMNA (0.36) FDPSL3MBTL1TSHRDAOLMNA
SCHEMBL19292061 0.74 L3MBTL1 (0.41) FDPSL3MBTL1TSHRDAOLMNA
SCHEMBL11165954 0.73 FDPS (0.38) FDPSL3MBTL1TSHRDAOLMNA
SCHEMBL439752 0.73 L3MBTL1 (0.49) FDPSL3MBTL1TSHRDAOLMNA

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-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK FDPS 413/4885L3MBTL1 4472/4885TSHR 3944/4885
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 FDPS 4352/4885L3MBTL1 3238/4885TSHR 1614/4885

“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.