SCHEMBL1097516

SCHEMBL1097516

COc1cc(I)c(CC(=O)Cl)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.52
MTNR1B P49286 2/20 0.52
CYP3A4 P08684 3/20 0.49
P2RX7 Q99572 3/20 0.43
HTR1A P08908 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
CA9 Q16790 1/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1096518 0.84 MTNR1A (0.54) MTNR1AMTNR1BCYP3A4P2RX7TSHR
SCHEMBL1096970 0.82 CA1 (0.54) MTNR1AMTNR1BCYP3A4P2RX7HTR2A
SCHEMBL29025520 0.82 MTNR1A (0.60) MTNR1AMTNR1BCYP3A4P2RX7HTR1A
SCHEMBL1097782 0.80 CYP3A4 (0.50) CYP3A4CYP1A2LMNAMEN1ALDH1A1
SCHEMBL13876643 0.77 MTNR1A (0.49) MTNR1AMTNR1BCYP3A4HTR1AHTR2A
SCHEMBL7307333 0.76 HSD17B10 (0.49) MTNR1AMTNR1BMEN1ALDH1A1KMT2A
SCHEMBL6068431 0.76 TNFSF11 (0.50) MTNR1AMTNR1BCYP3A4P2RX7TSHR
SCHEMBL4982275 0.75 PDE4A (0.57) MTNR1AMTNR1BCYP3A4P2RX7HTR1A
SCHEMBL1098118 0.75 CA1 (0.43) MTNR1AMTNR1BCYP3A4CA12CA1
SCHEMBL1097206 0.75 CA1 (0.43) MTNR1AMTNR1BCYP3A4CA12CA1

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-8153808-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
EP-2382192-A2 DIHYDROPYRIDONE AMIDES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2011-11-02 EP disclosed
WO-2010072647-A2 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 MTNR1A 52/4885MTNR1B 90/4885CYP3A4 1531/4885

“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.