SCHEMBL1612931

SCHEMBL1612931

CN(C)c1ccc(C=CC(=O)N2CC[CH]CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.61
GPR183 P32249 2/20 0.60
MAPT P10636 4/20 0.52
GAA P10253 1/20 0.50
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
TLR9 Q9NR96 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CCR2 P41597 1/20 0.46

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
SCHEMBL1612928 1.00 HSD17B3 (0.61) HSD17B3GPR183MAPTGAAALDH1A1
SCHEMBL1588282 0.83 MAPT (0.74) GPR183MAPTGAAALDH1A1NPC1
SCHEMBL1588280 0.83 MAPT (0.74) GPR183MAPTGAAALDH1A1NPC1
SCHEMBL14218064 0.82 GPR183 (0.71) HSD17B3GPR183MAPTGAAALDH1A1
SCHEMBL1587595 0.80 KMT2A (0.73) GPR183MAPTGAAALDH1A1NPC1
SCHEMBL1587593 0.80 KMT2A (0.73) GPR183MAPTGAAALDH1A1NPC1
SCHEMBL2831231 0.79 GPR183 (0.54) HSD17B3GPR183MAPTGAAALDH1A1
SCHEMBL13636161 0.79 GPR183 (0.57) HSD17B3GPR183MAPTGAAALDH1A1
SCHEMBL4380647 0.79 GPR183 (0.57) HSD17B3GPR183MAPTGAAALDH1A1
SCHEMBL13636003 0.79 GPR183 (0.57) HSD17B3GPR183MAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703957-B2 Phosphonic acid compounds as inhibitors of serine proteases JANSSEN PHARMACEUTICA NV (BE) 2014-04-22 US disclosed
US-8304430-B2 Phosphonic acid compounds as inhibitors of serine proteases ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2012-11-06 US disclosed
EP-1620446-B1 PIPERAZINE CONTAINING PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES ORTHO MCNEIL PHARMACEUTICAL CORP (US) 2012-10-24 EP disclosed
US-20110086819-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES GRECO MICHAEL N 2011-04-14 US disclosed
EP-1620446-A2 PIPERAZINE CONTAINING PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES Ortho-Mcneil Pharmaceutical Corp. (US) 2006-02-01 EP disclosed
WO-2004094441-A2 PIPERAZINE CONTAINING PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2004-11-04 WO disclosed
EP-1438316-A1 PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES Ortho-McNeil Pharmaceutical, Inc. (US) 2004-07-21 EP disclosed
WO-2003035654-A1 PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-05-01 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-20110086819-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES HPN, PRSS1, SERPINB1 HSD17B3 2812/4885GPR183 4170/4885MAPT 2091/4885

“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.