SCHEMBL4968647

SCHEMBL4968647

COc1cc(OC)cc([C@H]2CNCC[N]2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
HTR2C P28335 8/20 0.38
ADRB1 P08588 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAOA P21397 1/20 0.36
HTR2B P41595 5/20 0.36
HTR2A P28223 3/20 0.36
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
EED O75530 1/20 0.32

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
SCHEMBL4168557 1.00 KDM4E (0.38) KDM4EHTR2CADRB1ALDH1A1MAOA
SCHEMBL2218295 0.84 HTR2C (0.54) KDM4EHTR2CADRB1HTR2BHTR2A
SCHEMBL9331689 0.83 MAOA (0.50) KDM4EHTR2CADRB1ALDH1A1MAOA
SCHEMBL1880486 0.74 MAOA (0.48) HTR2CALDH1A1MAOAHTR2BHTR2A
SCHEMBL7289047 0.72 MAOA (0.40) KDM4EHTR2CALDH1A1MAOACHRNB2
SCHEMBL878092 0.72 RECQL (0.34) KDM4EALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL10401509 0.70 HTR2C (0.56) HTR2CMAOAHTR2BHTR2A
SCHEMBL240623 0.70 ADCY5 (0.38) HTR2CADRB1HTR2BHTR2A
SCHEMBL10518245 0.70 MAOA (0.54) MAOACHRNB2CHRNA4
SCHEMBL571789 0.69 SLC18A3 (0.41) KDM4EALDH1A1MAOA

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-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-15 US claimed
EP-1991540-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-15 US disclosed
WO-2007098214-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 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-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors PDE7A, PDE10A, PDE7B KDM4E 2365/4885HTR2C 1393/4885ADRB1 722/4885

“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.