SCHEMBL4155148

SCHEMBL4155148

O=C(NC1CCC1)C1NCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
HPGD P15428 1/20 0.41
TSHR P16473 4/20 0.40
OPRM1 P35372 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
F2 P00734 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 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
SCHEMBL4164018 0.94 SMYD3 (0.43) EPHX1HPGDTSHROPRM1NPSR1
SCHEMBL4707897 0.89 MFN2 (0.41) EPHX1HPGDTSHRNPSR1F2
SCHEMBL6122370 0.83 NAMPT (0.46) HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4407443 0.81 HTT (0.58) EPHX1HPGDTSHRHTTL3MBTL1
SCHEMBL9609026 0.81 HTT (0.58) EPHX1HPGDTSHRHTTL3MBTL1
SCHEMBL6121069 0.79 EPHX2 (0.47) EPHX1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL24113114 0.78 TSHR (0.44) HPGDTSHROPRM1NPSR1F2
SCHEMBL4707323 0.78 TSHR (0.41) TSHROPRM1NPSR1F2MEN1
SCHEMBL6123113 0.77 SMN1; SMN2 (0.50) MEN1KMT2ASMN1; SMN2SMYD3
SCHEMBL19902473 0.77 NPC1 (0.46) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US disclosed
EP-1879863-A1 AMIDE RESORCINOL COMPOUNDS Pfizer, Inc. (US) 2008-01-23 EP disclosed
WO-2006117669-A1 AMIDE RESORCINOL COMPOUNDS PFIZER INC. (US) 2006-11-09 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-20090215742-A1 AMIDE RESORCINOL COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P EPHX1 2287/4885HPGD 1069/4885TSHR 3980/4885

“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.