SCHEMBL13865733

SCHEMBL13865733

Cc1ncc(CN2CCN(C(C)C)CC2)s1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
RECQL P46063 3/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HRH3 Q9Y5N1 4/20 0.41
LMNA P02545 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE2A O00408 1/20 0.39

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
SCHEMBL10891097 0.82 RECQL (0.50) POLBRECQLMAPTALDH1A1KMT2A
SCHEMBL12058781 0.82 POLB (0.52) POLBRECQLMAPTALDH1A1KMT2A
SCHEMBL9738718 0.82 SMN1; SMN2 (0.51) POLBRECQLMAPTALDH1A1KMT2A
SCHEMBL6839505 0.80 SMN1; SMN2 (0.54) POLBRECQLMAPTALDH1A1KMT2A
SCHEMBL13865731 0.80 SMN1; SMN2 (0.54) POLBRECQLMAPTALDH1A1KMT2A
SCHEMBL470928 0.79 SMN1; SMN2 (0.58) POLBRECQLMAPTALDH1A1KMT2A
SCHEMBL12536929 0.79 POLB (0.51) POLBRECQLMAPTALDH1A1KMT2A
SCHEMBL12431740 0.78 POLB (0.48) POLBRECQLMAPTALDH1A1KMT2A
SCHEMBL9071079 0.78 ALDH1A1 (0.49) POLBRECQLMAPTALDH1A1KMT2A
SCHEMBL3405570 0.77 ALDH1A1 (0.44) POLBRECQLMAPTALDH1A1KMT2A

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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B POLB 701/4885RECQL 248/4885MAPT 4149/4885

“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.