SCHEMBL981374

SCHEMBL981374

COCCN1CCN(c2cc(C(=O)O)nc(Cl)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
P2RY12 Q9H244 1/20 0.40
HTR4 Q13639 5/20 0.39
P4HTM Q9NXG6 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
UGT8 Q16880 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
ACHE P22303 1/20 0.36
HTR1A P08908 2/20 0.36
HTR2A P28223 2/20 0.36
DRD3 P35462 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL981616 0.89 HTR4 (0.40) MAP4K4P2RY12HTR4HRH4NPC1
SCHEMBL985562 0.85 LMNA (0.46) MAP4K4P2RY12HTR4P4HTMHRH4
SCHEMBL981610 0.81 P2RY12 (0.56) P2RY12P4HTMNPC1KMT2AHTR1A
SCHEMBL3716892 0.75 HTR4 (0.43) MAP4K4HTR4KMT2AFGFR1FGFR2
SCHEMBL594184 0.74 KMO (0.61) NPC1RAB9AKMT2A
SCHEMBL3804885 0.73 CKS1B (0.50) MAP4K4HRH4KMT2AGPR119ACHE
SCHEMBL985848 0.73 P2RY12 (0.57) P2RY12NPC1KMT2AHTR1AHTR2A
SCHEMBL26625713 0.73 ALDH1A1 (0.42) KMT2A
SCHEMBL25142109 0.73 MAP4K4 (0.44) MAP4K4HTR4KMT2AACHEHTR2A
SCHEMBL15260059 0.73 MAP4K4 (0.53) MAP4K4HRH4ACHEDRD4DRD2

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-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
EP-2217606-A1 SOLUBILIZED THIAZOLOPYRIDINES Sirtris Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 WO 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 (1 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-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRT3, SIRT1, SIRT2 MAP4K4 1607/4885P2RY12 1151/4885HTR4 3134/4885

“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.