SCHEMBL2190644

SCHEMBL2190644

O[C@@H]1CN(Cc2ccccc2)CC[C@H]1NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.65
BACE1 P56817 13/20 0.65
BCHE P06276 12/20 0.65
FUCA1 P04066 2/20 0.54
CXCR4 P61073 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.52
SLC18A3 Q16572 1/20 0.52

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
SCHEMBL2189114 1.00 ACHE (0.65) ACHEBACE1BCHEFUCA1CXCR4
SCHEMBL12506909 1.00 ACHE (0.65) ACHEBACE1BCHEFUCA1CXCR4
SCHEMBL2190637 1.00 ACHE (0.65) ACHEBACE1BCHEFUCA1CXCR4
SCHEMBL2191531 0.89 ACHE (0.65) ACHEBACE1BCHEFUCA1CXCR4
SCHEMBL12506912 0.89 ACHE (0.65) ACHEBACE1BCHEFUCA1CXCR4
SCHEMBL16691751 0.89 ACHE (0.65) ACHEBACE1BCHEFUCA1CXCR4
SCHEMBL2187469 0.87 FUCA1 (0.53) ACHEBACE1BCHEFUCA1ALDH1A1
SCHEMBL2187482 0.87 FUCA1 (0.53) ACHEBACE1BCHEFUCA1ALDH1A1
SCHEMBL2187476 0.87 FUCA1 (0.53) ACHEBACE1BCHEFUCA1ALDH1A1
SCHEMBL13229622 0.87 FUCA1 (0.63) ACHEBACE1BCHEFUCA1CXCR4

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 3 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
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 ACHE 3409/4885BACE1 2080/4885BCHE 4079/4885

“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.