SCHEMBL4776740

SCHEMBL4776740

Cc1cc(C)c(C(C(=O)O)c2ccccc2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
CYP2D6 P10635 1/20 0.42
SRC P12931 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL7823116 0.79 RECQL (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL14677603 0.79 KMT2A (0.48) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL18823101 0.78 L3MBTL1 (0.52) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL1551142 0.76 CNR1 (0.56) SMN1; SMN2L3MBTL1MEN1KMT2ATDP1
Diphenylacetic Acid SCHEMBL11774892 0.75 SRC (0.56) ALDH1A1L3MBTL1KMT2ATDP1CYP2D6
Diphenylacetic Acid SCHEMBL38022 0.75 SRC (0.62) L3MBTL1MEN1KMT2ATDP1CYP2D6
Diphenylacetic Acid SCHEMBL8513250 0.75 SRC (0.62) L3MBTL1MEN1KMT2ATDP1CYP2D6
SCHEMBL4661865 0.75 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3SMN1; SMN2MEN1
SCHEMBL9701512 0.74 L3MBTL1 (0.45) L3MBTL1MEN1KMT2ATDP1CYP2D6
SCHEMBL11405301 0.74 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3ALDH1A1L3MBTL1

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 10 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
US-20060041139-A9 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. LUNDBECK A/S (DK) 2006-02-23 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-20040073036-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-15 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 (5 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-20040073036-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R SLC6A2 221/4885SLC6A4 184/4885SLC6A3 301/4885
US-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R SLC6A2 221/4885SLC6A4 184/4885SLC6A3 301/4885
US-20060041139-A9 SUBSTITUTED ALKYL AMIDO PIPERIDINES MCHR1, MCHR2, MC1R SLC6A2 221/4885SLC6A4 184/4885SLC6A3 301/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R SLC6A2 221/4885SLC6A4 184/4885SLC6A3 301/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R SLC6A2 221/4885SLC6A4 184/4885SLC6A3 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.