SCHEMBL3117145

SCHEMBL3117145

CN1CCN(NC(=O)c2cc[c]cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.67
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
GAA P10253 2/20 0.56
KMT2A Q03164 3/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.47
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
LIPE Q05469 1/20 0.43

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
SCHEMBL1576773 0.83 CYP2D6 (0.71) CYP2D6HDAC8HDAC6CYP2C9CYP2C19
SCHEMBL14679114 0.81 CYP2D6 (0.73) CYP2D6HDAC8HDAC6CYP2C9CYP2C19
SCHEMBL27896059 0.80 CYP2D6 (0.55) CYP2D6HDAC8HDAC6CYP2C9CYP2C19
SCHEMBL15153463 0.80 CYP2D6 (0.71) CYP2D6HDAC8HDAC6CYP2C9CYP2C19
SCHEMBL1258725 0.80 CYP2D6 (0.67) CYP2D6GAAKMT2ALMNAHTT
SCHEMBL2989541 0.80 CYP2D6 (0.67) CYP2D6HDAC8HDAC6CYP2C9CYP2C19
SCHEMBL5198652 0.78 KMT2A (0.60) CYP2D6KMT2ALMNAMAPK1CA12
SCHEMBL8127203 0.75 HDAC2 (0.72) CYP2D6HDAC8HDAC6CYP2C9GAA
SCHEMBL2222201 0.74 CARM1 (0.51) HDAC6CYP2C19KMT2ALMNA
SCHEMBL744542 0.74 POLB (0.64) CYP2D6CYP2C19KMT2ALMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US claimed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP claimed
EP-2150539-B1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-12-18 EP disclosed
US-8367668-B2 Pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-05 US disclosed
US-20100179148-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-07-15 US disclosed
EP-2150539-A1 PYRIDAZINONE DERIVATIVES Merck Patent GmbH (DE) 2010-02-10 EP disclosed
WO-2008145243-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2008-12-04 WO disclosed
US-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US disclosed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP 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 (2 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-20100179148-A1 PYRIDAZINONE DERIVATIVES MET, ERBB2, RET CYP2D6 562/4885HDAC8 3161/4885HDAC6 3507/4885
US-20070275968-A1 Substituted Biphenyl Derivative COL2A1, COL1A1, FGFR3 CYP2D6 214/4885HDAC8 578/4885HDAC6 356/4885

“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.