SCHEMBL340301

SCHEMBL340301

CC(C)COc1c(CN)c(-c2ccc(Cl)cc2Cl)cn2c(Br)cnc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.40
DPP8 Q6V1X1 13/20 0.40
DPP9 Q86TI2 6/20 0.36
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1913176 0.91 KDM4E (0.33) DPP4DPP8CYP2C19KDM4EALDH1A1
SCHEMBL339662 0.83 KDM4E (0.35) DPP4DPP8CYP2C19KDM4EALDH1A1
SCHEMBL1911557 0.83 KDM4E (0.32) CYP2C19KDM4EALDH1A1POLBCYP2C9
SCHEMBL339388 0.82 DPP4 (0.43) DPP4DPP8DPP9KDM4ESMN1; SMN2
SCHEMBL339031 0.81 PTGER1 (0.38) CYP2C19KDM4EALDH1A1POLBCYP2C9
SCHEMBL1911560 0.81 PTGER1 (0.33) DPP4DPP8CYP2C19KDM4EALDH1A1
SCHEMBL1912417 0.80 CRHR1 (0.44) DPP4DPP8CYP3A4
SCHEMBL339832 0.78 DPP4 (0.49) DPP4DPP8DPP9KDM4EHPGD
SCHEMBL339822 0.77 CNR2 (0.45) DPP4DPP8DPP9ALDH1A1
SCHEMBL339891 0.76 DPP4 (0.39) DPP4DPP8DPP9KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
EP-2004643-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 WO disclosed
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 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 (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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC DPP4 120/4885DPP8 403/4885DPP9 380/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885DPP8 403/4885DPP9 380/4885

“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.