SCHEMBL5864112

SCHEMBL5864112

O=C(NCc1cccc(F)c1)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.56
ROCK2 O75116 1/20 0.55
ROCK1 Q13464 1/20 0.55
MCHR1 Q99705 2/20 0.55
KCNH2 Q12809 1/20 0.55
PSMB1 P20618 1/20 0.53
PSMB5 P28074 1/20 0.53
PSMB2 P49721 1/20 0.53
LTA4H P09960 1/20 0.53
MET P08581 3/20 0.52
HTT P42858 1/20 0.51
GCGR P47871 1/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
CACNA1G O43497 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CHRM4 P08173 1/20 0.50
NAMPT P43490 1/20 0.50

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
SCHEMBL5863974 0.88 KDR (0.59) ROCK2ROCK1MCHR1PSMB1PSMB5
SCHEMBL5864316 0.81 PSMB1 (0.59) PSMB1PSMB5PSMB2LTA4HHTT
SCHEMBL5864113 0.81 LTA4H (0.73) MCHR1KCNH2LTA4H
Hydrochloric Acid SCHEMBL5863873 0.80 PSMB1 (0.57) PSMB1PSMB5PSMB2LTA4HHTT
SCHEMBL254380 0.79 SRC (0.84) SRCROCK2ROCK1MCHR1KCNH2
SCHEMBL7138812 0.79 KCNH2 (0.76) MCHR1KCNH2LTA4HHTTSMN1; SMN2
SCHEMBL8773752 0.79 SLC6A3 (0.67) MCHR1KCNH2PSMB1PSMB5PSMB2
SCHEMBL5174028 0.78 SLC6A3 (0.65) MCHR1KCNH2PSMB1PSMB5PSMB2
SCHEMBL7140302 0.78 LTA4H (0.73) MCHR1KCNH2PSMB1PSMB5PSMB2
SCHEMBL6694228 0.78 PSMB1 (0.52) PSMB1PSMB5PSMB2LTA4HESR1

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
US-7053212-B2 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC. (US) 2006-05-30 US disclosed
EP-1542967-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR Pfizer Products Inc. (US) 2005-06-22 EP disclosed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 US disclosed
WO-2004026823-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR PFIZER PRODUCTS INC. (US) 2004-04-01 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-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor GHSR, GPER1, SSTR1 SRC 912/4885ROCK2 2197/4885ROCK1 1763/4885

“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.