SCHEMBL338615

SCHEMBL338615

Cc1ccc(-c2cn3c(C(=O)N4CCN(c5ncccn5)CC4)cnc3cc2CN)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 3/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 2/20 0.41
PKM P14618 2/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL340061 0.91 KDM4E (0.47) SLC6A7KDM4EPKMLMNAHSD17B10
SCHEMBL8230314 0.90 CYP2C19 (0.41) SLC6A7KDM4EPKMLMNASMN1; SMN2
SCHEMBL1911459 0.88 CNR1 (0.36) KDM4ELMNASMN1; SMN2
SCHEMBL1913151 0.87 CYP46A1 (0.36) LMNA
SCHEMBL338589 0.85 PIK3CA (0.44) RAB9AKDM4EHSD17B10
SCHEMBL338618 0.85 DPP4 (0.40) LMNASMN1; SMN2NPSR1
SCHEMBL340329 0.84 KDM4E (0.45) SLC6A7KDM4EPKMLMNAHSD17B10
SCHEMBL1911461 0.79 DPP4 (0.37)
SCHEMBL340132 0.77 P2RX7 (0.39)
SCHEMBL340180 0.77 DPP4 (0.46) RAB9AKDM4ELMNASMN1; SMN2CYP1A2

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 8 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-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 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
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US 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 SLC6A7 2048/4885RAB9A 4708/4885KDM4E 3759/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC SLC6A7 2048/4885RAB9A 4708/4885KDM4E 3759/4885

“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.