SCHEMBL3251835

SCHEMBL3251835

COC(=O)COCCc1cccc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.55
▸ MTNR1B P49286 2/20 0.55
▸ CHRM2 P08172 1/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ CHRM3 P20309 1/20 0.53
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ TAAR1 Q96RJ0 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL1624781 0.84 ALOX5 (0.46) HDAC1HDAC6TAAR1ALDH1A1HTT
SCHEMBL1623264 0.82 TAAR1 (0.47) TAAR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1625096 0.82 TAAR1 (0.47) CHRM1TAAR1MEN1KMT2A
SCHEMBL63100 0.81 HDAC1 (0.61) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL5060301 0.81 TDP1 (0.50) ALDH1A1
SCHEMBL3586719 0.79 CYP1A2 (0.54) MTNR1AMTNR1BHDAC1HDAC6TAAR1
SCHEMBL28262492 0.79 HDAC1 (0.66) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL3164270 0.78 TAAR1 (0.57) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL31249652 0.78 SMN1; SMN2 (0.61) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL378705 0.78 SMN1; SMN2 (0.61) MTNR1AMTNR1BCHRM2CHRM1CHRM3

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-2029601-B1 PYRIDOPYRIMIDINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-02 — — EP disclosed
US-7572801-B2 Pyridopyrimidinone derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-11 — — US disclosed
EP-2029601-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 — — EP disclosed
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists HOFFMAN-LA ROCHE INC 2007-11-29 — — US disclosed
WO-2007134986-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 — — 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-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists GPR119, HCAR1, GPR84 MTNR1A 23/4885MTNR1B 66/4885CHRM2 18/4885

“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.

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