SCHEMBL454622

SCHEMBL454622

Cc1noc(C(C)OC(=O)c2cc(-c3ccc(F)cc3)c3nc(C(C)C)oc3c2)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
POLB P06746 2/20 0.33
DPP4 P27487 2/20 0.32
GRM5 P41594 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
MAPT P10636 2/20 0.31
TP53 P04637 2/20 0.31
ROCK2 O75116 1/20 0.31
DPP7 Q9UHL4 1/20 0.30
NPC1 O15118 1/20 0.30
GCGR P47871 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
KMT2A Q03164 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
SCHEMBL454621 1.00 RAB9A (0.35) RAB9APOLBDPP4GRM5DGAT2
SCHEMBL456434 0.84 DGAT2 (0.38) RAB9APOLBDGAT2TP53ROCK2
SCHEMBL15436223 0.82 RAB9A (0.35) RAB9APOLBDPP4MAPTNPC1
SCHEMBL456081 0.81 LMNA (0.35) RAB9ADPP4GRM5DGAT2MAPT
SCHEMBL456080 0.81 LMNA (0.35) RAB9ADPP4GRM5DGAT2MAPT
SCHEMBL15436224 0.71 DHODH (0.35) RAB9APOLBDPP4DGAT2NPC1
SCHEMBL452218 0.69 RAB9A (0.39) RAB9APOLBDGAT2TP53ROCK2
SCHEMBL454487 0.66 RAB9A (0.45) RAB9APOLBMAPTNPC1GCGR
SCHEMBL453626 0.66 ABL1 (0.44) DGAT2TP53ROCK2
SCHEMBL2260453 0.64 CTSA (0.47) DGAT2ROCK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 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 (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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 RAB9A 3699/4885POLB 4302/4885DPP4 1162/4885

“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.