SCHEMBL1615028

SCHEMBL1615028

O=C(C=Cc1ccc(C(F)(F)F)cc1)N1CC[CH]CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 3/20 0.63
CYP1A2 P05177 1/20 0.61
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HPGD P15428 3/20 0.53
HDAC3 O15379 1/20 0.53
ADAM17 P78536 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
LMNA P02545 3/20 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
SCHEMBL1615026 1.00 GPR183 (0.63) GPR183CYP1A2ALDH1A1SMN1; SMN2NPC1
SCHEMBL9652217 0.86 GPR183 (0.60) GPR183CYP1A2ALDH1A1SMN1; SMN2NPC1
SCHEMBL9652223 0.86 GPR183 (0.60) GPR183CYP1A2ALDH1A1SMN1; SMN2NPC1
SCHEMBL19385656 0.85 GPR183 (0.67) GPR183CYP1A2ALDH1A1SMN1; SMN2NPC1
SCHEMBL19385657 0.85 GPR183 (0.67) GPR183CYP1A2ALDH1A1SMN1; SMN2NPC1
SCHEMBL16599253 0.85 GPR183 (0.63) GPR183CYP1A2ALDH1A1SMN1; SMN2NPC1
SCHEMBL16599255 0.85 GPR183 (0.63) GPR183CYP1A2ALDH1A1SMN1; SMN2NPC1
SCHEMBL9654792 0.84 GPR183 (0.62) GPR183CYP1A2ALDH1A1SMN1; SMN2NPC1
SCHEMBL16599161 0.84 GPR183 (0.65) GPR183CYP1A2ALDH1A1SMN1; SMN2NPC1
SCHEMBL9654409 0.84 RAB9A (0.75) GPR183CYP1A2ALDH1A1SMN1; SMN2NPC1

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 GPR183 4170/4885CYP1A2 4722/4885ALDH1A1 4232/4885

“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.