SCHEMBL3344997

SCHEMBL3344997

COc1cc(C(N)=O)ccc1OCC(O)C1CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.60
MCHR1 Q99705 5/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL1578547 0.81 GAA (0.53) MAPK1MCHR1TSHRMEN1KMT2A
SCHEMBL2171307 0.81 GAA (0.53) MAPK1MCHR1TSHRMEN1KMT2A
SCHEMBL6087221 0.80 MAPK1 (0.65) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL3842541 0.80 MAPK1 (0.68) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL6944744 0.79 MAPK1 (0.63) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL1722545 0.79 MCHR1 (0.48) MCHR1MEN1KMT2A
SCHEMBL4269812 0.77 PDE4B (0.62) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL335681 0.77 MAPK1 (0.77) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL29415167 0.77 MAPK1 (0.77) MAPK1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL4271224 0.76 MAPK1 (0.63) MAPK1TSHRCYP1A2CYP3A4CYP2C9

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
EP-2346872-B1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-11-25 EP disclosed
US-8754211-B2 Azolotriazinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-17 US disclosed
US-20140031337-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-30 US disclosed
US-8580959-B2 Azolotriazinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-12 US disclosed
WO-2010042682-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 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-20140031337-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R MAPK1 1495/4885MCHR1 1/4885NPC1 671/4885

“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.