SCHEMBL2190756

SCHEMBL2190756

CCC(C)C(NCc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CASR P41180 1/20 0.45
ACP3 P15309 3/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATP1A1 P05023 1/20 0.43
ATP1B1 P05026 1/20 0.43
ATP1A3 P13637 1/20 0.43
ATP1B2 P14415 1/20 0.43
ATP1A2 P50993 1/20 0.43
ATP1B3 P54709 1/20 0.43
FXYD2 P54710 1/20 0.43

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
SCHEMBL26754019 0.83 SIGMAR1 (0.55) SIGMAR1MEN1KMT2ASMN1; SMN2CASR
SCHEMBL2189859 0.83 SIGMAR1 (0.55) SIGMAR1MEN1KMT2ASMN1; SMN2CASR
SCHEMBL14099897 0.82 ACP3 (0.53) SIGMAR1MEN1KMT2ASMN1; SMN2CASR
SCHEMBL7189369 0.82 ACP3 (0.53) SIGMAR1MEN1KMT2ASMN1; SMN2CASR
SCHEMBL1305451 0.82 ACP3 (0.53) SIGMAR1MEN1KMT2ASMN1; SMN2CASR
SCHEMBL17314012 0.80 SIGMAR1 (0.52) SIGMAR1MEN1KMT2ASMN1; SMN2CASR
SCHEMBL14748112 0.79 SIGMAR1 (0.55) SIGMAR1MEN1KMT2ASMN1; SMN2CASR
SCHEMBL13813305 0.79 SIGMAR1 (0.55) SIGMAR1MEN1KMT2ASMN1; SMN2CASR
SCHEMBL172633 0.79 SIGMAR1 (0.70) SIGMAR1SMN1; SMN2POLBLMNAMAPK1
SCHEMBL13675825 0.79 SIGMAR1 (0.70) SIGMAR1SMN1; SMN2POLBLMNAMAPK1

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 SIGMAR1 2043/4885MEN1 1715/4885KMT2A 1854/4885

“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.