SCHEMBL4884033

SCHEMBL4884033

CC[C](CC)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
PTPN1 P18031 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
LMNA P02545 1/20 0.42
PTBP1 P26599 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL27488403 0.83 HTR7 (0.61) HTR7CES2CES1NPC1RAB9A
SCHEMBL27618656 0.77 HTR7 (0.45) HTR7CES2CES1PTPN1NPC1
SCHEMBL8017500 0.77 HTR7 (0.45) HTR7CES2CES1PTPN1NPC1
Alcohol SCHEMBL28041790 0.76 ACHE (0.53) HTR7CES2CES1PTPN1CA1
SCHEMBL3989195 0.76 ALDH1A1 (0.48) CES2CES1NPC1RAB9ALMNA
SCHEMBL10413993 0.75 MAOA (0.55) HTR7CES2CES1PTPN1NPC1
SCHEMBL20622547 0.75 HTR7 (0.44) HTR7CES2CES1PTPN1NPC1
SCHEMBL655375 0.75 HTR7 (0.64) HTR7CES2CES1PTPN1NPC1
SCHEMBL3264307 0.74 CYP19A1 (0.58) NPC1RAB9ALMNAALDH1A1ACHE
SCHEMBL3369640 0.74 HTT (0.48) CES2CES1CA1CA2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 US claimed
EP-1844002-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-10-17 EP claimed
WO-2006083924-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-08-10 WO claimed
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 US disclosed
EP-1844002-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-10-17 EP disclosed
WO-2006083924-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-08-10 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-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors REN, AGTR1, AGTR2 HTR7 233/4885CES2 522/4885CES1 50/4885

“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.