SCHEMBL4635881

SCHEMBL4635881

O=C(N1CC[C@@H](NCc2cccc(Cl)c2Cl)C1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 2/20 0.45
P2RX7 Q99572 9/20 0.42
CXCR4 P61073 1/20 0.41
KDM1A O60341 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
OPRL1 P41146 1/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
DCUN1D1 Q96GG9 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
SCHEMBL4485008 0.86 P2RX7 (0.45) TEAD1P2RX7CXCR4PDCD1LG2CD274
SCHEMBL4635783 0.78 TEAD1 (0.51) TEAD1BCHEACHEBACE1SIGMAR1
SCHEMBL5437369 0.77 SIGMAR1 (0.44) TEAD1PDCD1LG2CD274BCHEACHE
SCHEMBL5994005 0.76 STS (0.54) PDCD1LG2CD274
SCHEMBL4485246 0.74 BCHE (0.43) TEAD1PDCD1LG2CD274BCHEACHE
SCHEMBL64531 0.72 GLA (0.56) P2RX7CXCR4
SCHEMBL6186246 0.72 CXCR4 (0.43) P2RX7CXCR4BCHEACHEBACE1
SCHEMBL4687118 0.72 SCN9A (0.47) P2RX7
SCHEMBL6112140 0.72 SCN9A (0.47) P2RX7
SCHEMBL4634797 0.71 PDK2 (0.44)

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 9 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
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 3206/4885P2RX7 873/4885CXCR4 657/4885
US-20080306123-A1 NOVEL COMPOUNDS ADRB3, HTR3A, HTR3C TEAD1 2420/4885P2RX7 1426/4885CXCR4 125/4885

“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.