SCHEMBL4771225

SCHEMBL4771225

COC(C(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
SLC6A3 Q01959 3/20 0.47
LMNA P02545 3/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
APP P05067 1/20 0.43
TSHR P16473 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
SCHEMBL15716700 0.86 LMNA (0.47) AKR1C3AKR1C2SLC6A3LMNASLC6A2
SCHEMBL8213037 0.85 ALDH1A1 (0.58) AKR1C3AKR1C2LMNAALDH1A1HTT
SCHEMBL7714921 0.85 ALDH1A1 (0.40) AKR1C3AKR1C2LMNAALDH1A1TSHR
SCHEMBL9395161 0.84 SLC6A3 (0.56) SLC6A3LMNASLC6A2SLC6A4ALDH1A1
SCHEMBL1565657 0.81 PPARG (0.51) AKR1C3AKR1C2LMNASLC6A4ALDH1A1
SCHEMBL24327754 0.79 PPARG (0.53) ALDH1A1
SCHEMBL1759773 0.79 PPARG (0.53) ALDH1A1
SCHEMBL10850359 0.78 FABP4 (0.42) AKR1C3AKR1C2LMNAALDH1A1TSHR
SCHEMBL10994119 0.78 CHRM1 (0.51) SLC6A3ALDH1A1HTTSMN1; SMN2
SCHEMBL8372532 0.77 ALDH1A1 (0.49) LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590326-A4 SUBSTITUTED ALKYL AMIDO PIPERIDINES LUNDBECK & CO AS H (DK) 2008-04-30 EP disclosed
US-7199135-B2 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2007-04-03 US disclosed
US-20060217418-A1 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2006-09-28 US disclosed
US-7105544-B2 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2006-09-12 US disclosed
US-20060084649-A9 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2006-04-20 US disclosed
EP-1590326-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. Lundbeck A/S (DK) 2005-11-02 EP disclosed
US-20040186103-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-09-23 US disclosed
WO-2004064764-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. LUNDBECK A/S (DK) 2004-08-05 WO disclosed
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 US disclosed
EP-1360489-A1 LOW AFFINITY SCREENING METHOD Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2003-11-12 EP disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 WO disclosed
US-4123330-A Color diffusion transfer process using benzyl alcohol and derivatives thereof KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1978-10-31 US disclosed
US-4115117-A Color diffusion transfer process employing phosphoramides KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1978-09-19 US disclosed
US-4086240-A 1-Thiazolyl-5-phenoxy and phenylthioalkanoyloxyimidazolidinones VELSICOL CHEMICAL CORPORATION (US) 1978-04-25 US disclosed
US-3935193-A ANTIBIOTICS TOYO JOZO KABUSHIKI KAISHA (JA) 1976-01-27 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 (3 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-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R AKR1C3 641/4885AKR1C2 747/4885SLC6A3 301/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R AKR1C3 641/4885AKR1C2 747/4885SLC6A3 301/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R AKR1C3 641/4885AKR1C2 747/4885SLC6A3 301/4885

“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.