SCHEMBL534346

SCHEMBL534346

C[C@H](Cc1ccccc1)N(C)C(=O)n1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.48
CYP24A1 Q07973 1/20 0.44
LMNA P02545 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
BCHE P06276 3/20 0.41
ACHE P22303 3/20 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
SCHEMBL534328 1.00 NPY5R (0.48) NPY5RCYP24A1LMNAADRA2BADRA2C
SCHEMBL5648204 0.79 CYP1A2 (0.51) LMNACYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL165658 0.74 HTT (0.40) LMNACYP3A4CYP2D6CYP1A2ALOX15
SCHEMBL11588617 0.74 ADRA2B (0.61) NPY5RADRA2BADRA2CSLC6A2HTR2A
SCHEMBL10944523 0.74 CYP24A1 (0.51) CYP24A1CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL427205 0.74 KDM4E (0.53) CYP24A1LMNACYP3A4CYP2D6CYP1A2
SCHEMBL14008051 0.73 NPY5R (0.55) NPY5RADRA2BADRA2CSLC6A2HTR2A
SCHEMBL7636285 0.73 NPY5R (0.55) NPY5RADRA2BADRA2CSLC6A2HTR2A
SCHEMBL7636288 0.73 NPY5R (0.55) NPY5RADRA2BADRA2CSLC6A2HTR2A
SCHEMBL5651399 0.71 ALDH1A1 (0.53) CYP24A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256229-A1 COMPOSITIONS OF CHOLINESTERASE INHIBITORS COLUCID PHARMACEUTICALS, INC. (US) 2010-10-07 US claimed
EP-2413926-A2 COMPOSITIONS OF CHOLINESTERASE INHIBITORS Colucid Pharmaceuticals, Inc. (US) 2012-02-08 EP disclosed
WO-2010115124-A2 COMPOSITIONS OF CHOLINESTERASE INHIBITORS COLUCID PHARMACEUTICALS, INC. (US) 2010-10-07 WO disclosed
WO-2010115124-A2 COMPOSITIONS OF CHOLINESTERASE INHIBITORS COLUCID PHARMACEUTICALS, INC. (US) 2010-10-07 WO disclosed
US-20100256229-A1 COMPOSITIONS OF CHOLINESTERASE INHIBITORS COLUCID PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256229-A1 COMPOSITIONS OF CHOLINESTERASE INHIBITORS COLUCID PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256229-A1 COMPOSITIONS OF CHOLINESTERASE INHIBITORS COLUCID PHARMACEUTICALS, INC. (US) 2010-10-07 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 (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-20100256229-A1 COMPOSITIONS OF CHOLINESTERASE INHIBITORS ACHE, BCHE, CES1 NPY5R 3047/4885CYP24A1 1975/4885LMNA 4281/4885

“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.