SCHEMBL4492340

SCHEMBL4492340

CCc1ccc(N2CCOCC2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
GAA P10253 2/20 0.60
ALDH3A1 P30838 1/20 0.55
ALDH1A3 P47895 1/20 0.55
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 2/20 0.49
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
LMNA P02545 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HTT P42858 3/20 0.47
TP53 P04637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
AKR1C3 P42330 1/20 0.47

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
SCHEMBL14948936 0.90 GAA (0.49) MAPTSMN1; SMN2GAAALDH3A1ALDH1A3
SCHEMBL7812585 0.83 NPC1 (0.57) SMN1; SMN2ALDH1A1MAPK1LMNANPC1
SCHEMBL11529021 0.83 ALDH1A1 (0.55) MAPTSMN1; SMN2GAAALDH1A1LMNA
SCHEMBL19251504 0.83 DRD2 (0.61) MAPTSMN1; SMN2ALDH1A1CYP2D6NPC1
SCHEMBL11339430 0.81 USP2 (0.45) SMN1; SMN2GAAALDH1A1CYP3A4CYP2C9
SCHEMBL12142119 0.81 DRD2 (0.62) SIGMAR1
SCHEMBL13634469 0.81 MEN1 (0.48) MAPTSMN1; SMN2GAAALDH1A1MAPK1
SCHEMBL3850940 0.80 THRB (0.47) MAPTSMN1; SMN2ALDH1A1MAPK1CYP3A4
SCHEMBL17543217 0.80 ALDH1A3 (0.42) MAPTSMN1; SMN2GAAALDH3A1ALDH1A3
SCHEMBL12142079 0.80 NOTUM (0.51) MAPTSMN1; SMN2GAAALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 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 (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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK MAPT 4633/4885SMN1; SMN2 3820/4885GAA 2424/4885

“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.