SCHEMBL338848

SCHEMBL338848

NCc1cc2nnc(NC(=O)CC3CC4CCC3C4)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 1/20 0.37
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
BRD4 O60885 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
ECE1 P42892 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DPP4 P27487 2/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 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
SCHEMBL1912414 1.00 P2RX7 (0.38) P2RX7CNR1CNR2LMNATDP1
SCHEMBL1911445 1.00 P2RX7 (0.38) P2RX7CNR1CNR2LMNATDP1
SCHEMBL339703 0.81 P2RX7 (0.45) P2RX7CNR1MEN1KMT2A
SCHEMBL339261 0.80 CHRM3 (0.33) CNR1LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL339260 0.80 CHRM3 (0.33) CNR1LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL339259 0.80 CHRM3 (0.33) CNR1LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL338950 0.78 ALDH1A1 (0.40) CNR1CNR2LMNAALDH1A1HTT
SCHEMBL339881 0.78 GSK3B (0.36) CNR1KMT2ADPP4DPP8
SCHEMBL339320 0.77 DPP4 (0.41) LMNAKMT2AHPGDDPP4DPP8
SCHEMBL340212 0.77 DPP4 (0.39) ALDH1A1MAPTHPGDDPP4TNKS

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 3 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

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 P2RX7 2896/4885CNR1 1923/4885CNR2 2213/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC P2RX7 2896/4885CNR1 1923/4885CNR2 2213/4885

“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.