SCHEMBL454487

SCHEMBL454487

COC(=O)c1cc(-c2ccc(F)cc2)c2oc(C(C)C)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
PTGS1 P23219 1/20 0.44
GCGR P47871 1/20 0.42
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PTPN7 P35236 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FPR2 P25090 1/20 0.38
SCN9A Q15858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MAPK14 Q16539 1/20 0.37
GRM2 Q14416 1/20 0.37
POLB P06746 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
SCHEMBL454330 0.87 RAB9A (0.45) RAB9ANPC1GCGRMEN1KMT2A
SCHEMBL450145 0.82 PTGS1 (0.41) RAB9ANPC1PTGS1GCGRSLC6A4
SCHEMBL24821779 0.82 RAB9A (0.48) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL452218 0.79 RAB9A (0.39) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9224294 0.71 RAB9A (0.72) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL451600 0.70 GCGR (0.43) RAB9ANPC1PTGS1GCGRSLC6A4
SCHEMBL452909 0.70 ABL1 (0.49) RAB9ANPC1PTGS1GCGRSLC6A4
SCHEMBL451479 0.68 GPR35 (0.41) RAB9ANPC1GCGRMEN1KMT2A
SCHEMBL5638115 0.68 MAPT (0.70) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL452451 0.67 KDM4E (0.52) RAB9ANPC1PTGS1SLC6A4SLC6A3

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-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
EP-2410857-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
WO-2010111058-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 RAB9A 3699/4885NPC1 3891/4885PTGS1 294/4885

“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.