SCHEMBL3580017

SCHEMBL3580017

C[O+]=C(N(C)C)N(C)On1nnc2ccccc21.F[B-](F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
SIRT2 Q8IXJ6 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SLC9A1 P19634 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4958142 0.95 NPSR1 (0.42) NPSR1TSHRRXFP1HDAC3HDAC4
SCHEMBL1674865 0.81 NPSR1 (0.41) NPSR1TSHRRXFP1HDAC3HDAC4
SCHEMBL3919726 0.78 SLC9A1 (0.38) NPSR1TSHRSLC9A1POLBMAPK1
SCHEMBL6668090 0.77 SMN1; SMN2 (0.40) NPSR1TSHRRXFP1HDAC3HDAC4
SCHEMBL4958663 0.76 FAAH (0.35)
SCHEMBL2107219 0.74 NPSR1 (0.45) NPSR1TSHRRXFP1HDAC3HDAC4
SCHEMBL30269029 0.74 TSHR (0.45) NPSR1TSHRRXFP1HDAC3HDAC4
SCHEMBL44479 0.73 SLC9A1 (0.41) NPSR1TSHRSLC9A1POLBMAPK1
SCHEMBL2824611 0.73 SLC9A1 (0.41) NPSR1TSHRSLC9A1POLBMAPK1
SCHEMBL1941412 0.73 SLC9A1 (0.41) NPSR1TSHRSLC9A1POLBMAPK1

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 7 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-7625929-B2 Oxophenyl-cyclohexyl-propanolamine derivatives, production and use thereof in therapeutics SANOFI-AVENTIS (FR) 2009-12-01 US disclosed
US-7453010-B2 Phenylcyclohexylpropanolamine derivatives, preparation and therapeutic application thereof SANOFI AVENTIS (FR) 2008-11-18 US disclosed
US-20060100283-A1 Phenylcyclohexylpropanolamine derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2006-05-11 US disclosed
US-20050176731-A1 Oxophenyl-cyclohexyl-propanolamine derivatives, production and use therof in therapeutics SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
EP-1453860-A2 NOVEL GLUCOSE-DEPENDANT INSULINS NOVO NORDISK A/S (DK) 2004-09-08 EP disclosed
WO-2003048195-A2 GLUCOSE DEPENDANT RELEASE OF INSULIN FROM GLUCOSE SENSING INSULIN DERIVATIVES NOVO NORDISK A/S (DK) 2003-06-12 WO 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-20060100283-A1 Phenylcyclohexylpropanolamine derivatives, preparation and therapeutic application thereof CHRM1, CHRM2, C1R NPSR1 64/4885TSHR 177/4885RXFP1 326/4885
US-20100075986-A1 Oxophenyl-Cyclohexyl-Propanolamine Derivatives, Production And Use Thereof In Therapeutics HRH4, HRH3, AOC3 NPSR1 96/4885TSHR 317/4885RXFP1 1746/4885
US-20050176731-A1 Oxophenyl-cyclohexyl-propanolamine derivatives, production and use therof in therapeutics HRH4, HRH3, HTR3C NPSR1 64/4885TSHR 317/4885RXFP1 618/4885

“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.