SCHEMBL3586530

SCHEMBL3586530

O=C(O)CCN(c1ccccc1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
MITF O75030 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
PAX8 Q06710 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATM Q13315 1/20 0.44
PKM P14618 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
HTT P42858 2/20 0.42
ESR1 P03372 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX2 P34913 2/20 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
SCHEMBL9124783 0.91 SMN1; SMN2 (0.49) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL4164624 0.81 KDM4E (0.47) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL5801159 0.81 KDM4E (0.47) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL13135934 0.81 MTNR1A (0.57) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL11692389 0.80 KDM4E (0.53) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL4155032 0.80 KDM4E (0.45) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL16335464 0.79 HTT (0.44) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL4802959 0.79 KDM4E (0.45) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL11113870 0.78 ESR1 (0.46) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL12088125 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1NPC1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075986-A1 Oxophenyl-Cyclohexyl-Propanolamine Derivatives, Production And Use Thereof In Therapeutics SANOFI-AVENTIS (FR) 2010-03-25 US disclosed
US-20100075986-A1 Oxophenyl-Cyclohexyl-Propanolamine Derivatives, Production And Use Thereof In Therapeutics SANOFI-AVENTIS (FR) 2010-03-25 US disclosed
US-7625929-B2 Oxophenyl-cyclohexyl-propanolamine derivatives, production and use thereof in therapeutics SANOFI-AVENTIS (FR) 2009-12-01 US disclosed
US-7625929-B2 Oxophenyl-cyclohexyl-propanolamine derivatives, production and use thereof in therapeutics SANOFI-AVENTIS (FR) 2009-12-01 US disclosed
US-20050176731-A1 Oxophenyl-cyclohexyl-propanolamine derivatives, production and use therof in therapeutics SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
US-20050176731-A1 Oxophenyl-cyclohexyl-propanolamine derivatives, production and use therof in therapeutics SANOFI-AVENTIS (FR) 2005-08-11 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-20100075986-A1 Oxophenyl-Cyclohexyl-Propanolamine Derivatives, Production And Use Thereof In Therapeutics HRH4, HRH3, AOC3 ALDH1A1 2106/4885KDM4E 2407/4885MEN1 1003/4885
US-20050176731-A1 Oxophenyl-cyclohexyl-propanolamine derivatives, production and use therof in therapeutics HRH4, HRH3, HTR3C ALDH1A1 2731/4885KDM4E 3096/4885MEN1 674/4885

“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.