SCHEMBL4962265

SCHEMBL4962265

O=C(NCC(O)COc1ccccc1)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TRPA1 O75762 6/20 0.48
NPY1R P25929 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C8 P10632 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL4962833 0.81 SMN1; SMN2 (0.54) KMT2AALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL4963409 0.79 TRPA1 (0.52) ALDH1A1SMN1; SMN2TRPA1CYP3A4CYP2C9
SCHEMBL4963420 0.79 TRPA1 (0.52) ALDH1A1SMN1; SMN2TRPA1CYP3A4CYP2C9
SCHEMBL8149545 0.76 MEN1 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2NPY1R
SCHEMBL14491540 0.75 SMN1; SMN2 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL6553912 0.74 CYP2D6 (0.61) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL6938286 0.72 CYP1A2 (0.63) MEN1KMT2ASMN1; SMN2NPY1RCYP1A2
SCHEMBL11099777 0.72 MEN1 (0.55) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL433860 0.71 P2RX7 (0.55) TRPA1CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL6630527 0.71 CYP2D6 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2CYP3A4

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
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP claimed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP claimed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO claimed
US-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 US claimed
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP disclosed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP disclosed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO disclosed
US-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 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-20050288338-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 MEN1 365/4885KMT2A 3525/4885ALDH1A1 345/4885

“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.