SCHEMBL4137890

SCHEMBL4137890

O=C(N[C@H]1CCCN(c2ccccc2)C1)C12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
KDM4E B2RXH2 2/20 0.53
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
PREP P48147 1/20 0.41
CYP3A4 P08684 2/20 0.40
HSD11B1 P28845 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.39
P2RX7 Q99572 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
SCHEMBL4142873 0.89 CNR1 (0.54) SMN1; SMN2CNR1CNR2ALDH1A1LMNA
SCHEMBL4148781 0.81 CNR1 (0.48) SMN1; SMN2CNR1ALDH1A1LMNARAB9A
SCHEMBL4011282 0.75 CNR1 (0.64) SMN1; SMN2CNR1ALDH1A1MAPK1
SCHEMBL14859926 0.75 CNR1 (0.64) SMN1; SMN2CNR1ALDH1A1MAPK1
SCHEMBL4011287 0.75 CNR1 (0.64) SMN1; SMN2CNR1ALDH1A1MAPK1
SCHEMBL611954 0.74 EPHX2 (0.43) SMN1; SMN2KDM4EALDH1A1LMNAHSD11B1
SCHEMBL4004189 0.74 ALDH1A1 (0.55) SMN1; SMN2CNR1ALDH1A1HSD11B1KMT2A
SCHEMBL4004177 0.74 ALDH1A1 (0.55) SMN1; SMN2CNR1ALDH1A1HSD11B1KMT2A
SCHEMBL19173140 0.74 ALDH1A1 (0.56) SMN1; SMN2KDM4EALDH1A1GAALMNA
SCHEMBL4298026 0.73 CNR1 (0.54) SMN1; SMN2CNR1ALDH1A1KMT2AP2RX7

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
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP claimed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP claimed
US-20060122197-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-08 US claimed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO claimed
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
US-20060122197-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-08 US disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 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-20060122197-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 SMN1; SMN2 3627/4885KDM4E 3505/4885CNR1 516/4885

“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.