SCHEMBL2187157

SCHEMBL2187157

COC(=O)Nc1ccc(NC2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.62
KMT2A Q03164 3/20 0.60
DRD2 P14416 1/20 0.60
DRD4 P21917 1/20 0.60
DRD3 P35462 1/20 0.60
LTA4H P09960 1/20 0.60
ACHE P22303 2/20 0.60
MAOB P27338 1/20 0.60
SIGMAR1 Q99720 3/20 0.57
TGM2 P21980 1/20 0.57
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 1/20 0.56
FAAH O00519 1/20 0.55
POLB P06746 2/20 0.55
CA12 O43570 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
MAPK1 P28482 1/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL30219688 0.89 BCHE (0.58) BCHEKMT2ADRD2DRD4DRD3
SCHEMBL23805141 0.87 KMT2A (0.66) BCHEKMT2ADRD2DRD4DRD3
SCHEMBL8070227 0.85 ALDH1A1 (0.68) KMT2ALTA4HSIGMAR1ALDH1A1MEN1
SCHEMBL7289534 0.82 KMT2A (0.70) KMT2ALTA4HACHESIGMAR1ALDH1A1
SCHEMBL4229314 0.82 LTA4H (0.80) KMT2ADRD2DRD4DRD3LTA4H
SCHEMBL918426 0.81 KDM4E (0.66) BCHEKMT2ADRD2DRD4DRD3
SCHEMBL11537991 0.81 LTA4H (0.58) BCHEKMT2ALTA4HACHESIGMAR1
SCHEMBL7288248 0.80 ACHE (0.68) BCHELTA4HACHEALDH1A1FAAH
SCHEMBL6153555 0.80 LTA4H (0.66) KMT2ADRD2DRD4DRD3LTA4H
SCHEMBL27837802 0.80 LTA4H (0.56) BCHEKMT2ADRD2DRD4DRD3

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
EP-2351738-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO)PIPERIDIN-3-OL Sumitomo Chemical Company, Limited (JP) 2011-08-03 EP disclosed
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-14 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-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL TEAD4, TEAD3, TEAD2 BCHE 4079/4885KMT2A 1854/4885DRD2 244/4885

“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.