SCHEMBL1492751

SCHEMBL1492751

O=C(O)C1(c2ccnc(Cl)c2)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 2/20 0.51
MAP4K4 O95819 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
SMARCA2 P51531 3/20 0.40
SMARCA4 P51532 3/20 0.40
APP P05067 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL15547985 0.84 KMT2A (0.45) AKR1C1MEN1KMT2AAKR1C3AKR1C2
SCHEMBL7952711 0.82 AKR1C1 (0.53) AKR1C1MAP4K4MEN1KMT2ATSHR
SCHEMBL30872137 0.80 TAS1R3 (0.39) AKR1C1AKR1C3AKR1C2SMARCA2SMARCA4
SCHEMBL31292176 0.79 AKR1C1 (0.49) AKR1C1MAP4K4MEN1KMT2ATSHR
SCHEMBL1670449 0.77 AKR1C1 (0.47) AKR1C1MAP4K4MEN1KMT2ATSHR
SCHEMBL18366622 0.76 CYP17A1 (0.42) SMARCA2SMARCA4RECQL
SCHEMBL30587514 0.76 CYP17A1 (0.42) SMARCA2SMARCA4RECQL
SCHEMBL15535986 0.76 OPRD1 (0.47) MEN1KMT2ATSHR
SCHEMBL4827944 0.75 AKR1C1 (0.68) AKR1C1MAP4K4MEN1KMT2ATSHR
SCHEMBL17796645 0.75 AKR1C1 (0.53) AKR1C1MAP4K4MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102083794-A Urea compounds as gamma secretase modulators AMGEN INC 2011-06-01 CN disclosed
US-20110118234-A1 Urea Compounds as Gamma Secretase Modulators AMGEN INC. 2011-05-19 US disclosed
EP-2300427-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2011-03-30 EP disclosed
WO-2009137404-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-11-12 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-20110118234-A1 Urea Compounds as Gamma Secretase Modulators BACE1, BACE2, PSEN1 AKR1C1 3661/4885MAP4K4 3589/4885MEN1 3122/4885

“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.