SCHEMBL4635783

SCHEMBL4635783

O=C(N1CC[C@@H](NCc2ccc(Cl)c(Cl)c2)C1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 3/20 0.51
EPHX2 P34913 1/20 0.46
RPS6KB1 P23443 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
SSTR3 P32745 5/20 0.43
SIGMAR1 Q99720 3/20 0.42
ENPP2 Q13822 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL15054550 0.85 EPHX2 (0.49) TEAD1EPHX2RPS6KB1HRH3SSTR3
SCHEMBL28137413 0.81 USP30 (0.46) TEAD1EPHX2RPS6KB1
SCHEMBL4213324 0.79 TEAD1 (0.55) TEAD1EPHX2MEN1KMT2ABCHE
SCHEMBL4635881 0.78 TEAD1 (0.45) TEAD1SIGMAR1BCHEACHEBACE1
SCHEMBL10285543 0.77 TEAD1 (0.50) TEAD1EPHX2BCHEACHEBACE1
SCHEMBL2793943 0.76 TEAD1 (0.47) TEAD1MEN1KMT2A
SCHEMBL3652318 0.75 TEAD1 (0.56) TEAD1EPHX2SSTR3BCHEACHE
SCHEMBL4208271 0.74 TEAD1 (0.55) TEAD1EPHX2MEN1KMT2ABCHE
SCHEMBL16033868 0.72 POLB (0.53) HRH3SSTR3MEN1KMT2A
SCHEMBL2930995 0.71 TEAD1 (0.53) TEAD1EPHX2SIGMAR1ENPP2TMEM97

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
US-20080306123-A1 NOVEL COMPOUNDS PFIZER INC. (US) 2008-12-11 US disclosed
US-20080306123-A1 NOVEL COMPOUNDS PFIZER INC. (US) 2008-12-11 US disclosed
US-20080306123-A1 NOVEL COMPOUNDS PFIZER INC. (US) 2008-12-11 US disclosed
EP-1638933-B1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALINE RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2008-06-11 EP disclosed
US-7378436-B2 Compounds PFIZER INC. (US) 2008-05-27 US disclosed
US-7378436-B2 Compounds PFIZER INC. (US) 2008-05-27 US disclosed
US-7378436-B2 Compounds PFIZER INC. (US) 2008-05-27 US disclosed
US-20050137229-A1 Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting PFIZER INC 2005-06-23 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 (2 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-20050137229-A1 Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting AOC3, ADRB3, HTR3C TEAD1 3206/4885EPHX2 549/4885RPS6KB1 4126/4885
US-20080306123-A1 NOVEL COMPOUNDS ADRB3, HTR3A, HTR3C TEAD1 2420/4885EPHX2 263/4885RPS6KB1 3693/4885

“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.