SCHEMBL2806846

SCHEMBL2806846

C1CCC(NC2CCCCC2)CC1.O=C(O)CN(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2C19 P33261 1/20 0.45
CCR5 P51681 2/20 0.44
USP30 Q70CQ3 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PDE4B Q07343 1/20 0.42
GRIN2B Q13224 2/20 0.42
HTT P42858 1/20 0.42
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ENPP2 Q13822 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41

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
SCHEMBL4016879 1.00 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19CCR5
SCHEMBL2804463 0.91 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19CCR5
SCHEMBL2804464 0.91 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19CCR5
SCHEMBL8044664 0.83 HTT (0.55) SMN1; SMN2NPC1RAB9ACYP2C19CCR5
SCHEMBL8171722 0.83 HTT (0.55) SMN1; SMN2NPC1RAB9ACYP2C19CCR5
SCHEMBL13205421 0.83 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19CCR5
SCHEMBL2273359 0.82 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19USP30
SCHEMBL3274229 0.82 PREP (0.46) ALDH1A1L3MBTL1SIGMAR1
SCHEMBL5438425 0.81 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19USP30
SCHEMBL13434275 0.80 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19USP30

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-20100240611-A1 METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-09-23 US disclosed
WO-2010107809-A2 METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-09-23 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-20100240611-A1 METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS DPP4, DPP3, DPP7 SMN1; SMN2 2316/4885NPC1 773/4885RAB9A 3449/4885

“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.