SCHEMBL2293847

SCHEMBL2293847

CCOC(=O)c1ccc([C@H]2CC[C@H](NCc3ccccc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.59
MAPT P10636 2/20 0.52
NAMPT P43490 1/20 0.52
ALOX15 P16050 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ABL1 P00519 1/20 0.47
POLB P06746 1/20 0.47
RIN1 Q13671 1/20 0.47
CYP2C9 P11712 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
HTT P42858 1/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL2293851 1.00 SMN1; SMN2 (0.59) SMN1; SMN2MAPTNAMPTALOX15MEN1
SCHEMBL5262578 0.84 CYP2C9 (0.47) SMN1; SMN2MAPTMEN1KMT2ACYP2C9
SCHEMBL3289861 0.84 CYP2C9 (0.47) SMN1; SMN2MAPTMEN1KMT2ACYP2C9
SCHEMBL12420159 0.83 ALDH1A1 (0.50) SMN1; SMN2MEN1KMT2ACYP2C9HRH3
SCHEMBL5163118 0.83 ALDH1A1 (0.50) SMN1; SMN2MEN1KMT2ACYP2C9HRH3
SCHEMBL4799395 0.82 CYP2C9 (0.53) MAPTALOX15POLBCYP2C9HRH3
SCHEMBL4799387 0.82 CYP2C9 (0.53) MAPTALOX15POLBCYP2C9HRH3
SCHEMBL4003420 0.82 CA12 (0.59) SMN1; SMN2MAPTMEN1KMT2ACYP2C9
SCHEMBL3962996 0.81 SMN1; SMN2 (0.56) SMN1; SMN2MAPTNAMPTALOX15MEN1
SCHEMBL5265413 0.81 KDM1A (0.55) SMN1; SMN2MEN1KMT2ACYP2C9HRH3

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-20110190529-A1 METHOD FOR PREPARING THE ETHYL ESTER OF 4-[TRANS-4-[(PHENYLMETHYL)-AMINO]CYCLOHEXYL]BENZOIC ACID AND THE HEMIFUMARATE SALT THEREOF SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190529-A1 METHOD FOR PREPARING THE ETHYL ESTER OF 4-[TRANS-4-[(PHENYLMETHYL)-AMINO]CYCLOHEXYL]BENZOIC ACID AND THE HEMIFUMARATE SALT THEREOF SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190529-A1 METHOD FOR PREPARING THE ETHYL ESTER OF 4-[TRANS-4-[(PHENYLMETHYL)-AMINO]CYCLOHEXYL]BENZOIC ACID AND THE HEMIFUMARATE SALT THEREOF SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20100075986-A1 Oxophenyl-Cyclohexyl-Propanolamine Derivatives, Production And Use Thereof In Therapeutics SANOFI-AVENTIS (FR) 2010-03-25 US disclosed
WO-2010020719-A1 METHOD FOR PREPARING THE ETHYL ESTER OF 4-[TRANS-4-[(PHENYLMETHYL)­AMINO]CYCLOHEXYL]BENZOIC ACID AND THE HEMIFUMARATE SALT THEREOF SANOFIS-AVENTIS (FR) 2010-02-25 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 SMN1; SMN2 2695/4885MAPT 3646/4885NAMPT 2632/4885
US-20110190529-A1 METHOD FOR PREPARING THE ETHYL ESTER OF 4-[TRANS-4-[(PHENYLMETHYL)-AMINO]CYCLOHEXYL]BENZOIC ACID AND THE HEMIFUMARATE SALT THEREOF CYP4F11, CYP51A1, CYP4F2 SMN1; SMN2 3167/4885MAPT 2085/4885NAMPT 900/4885
US-20100075986-A1 Oxophenyl-Cyclohexyl-Propanolamine Derivatives, Production And Use Thereof In Therapeutics HRH4, HRH3, AOC3 SMN1; SMN2 1882/4885MAPT 3137/4885NAMPT 3011/4885
US-20050176731-A1 Oxophenyl-cyclohexyl-propanolamine derivatives, production and use therof in therapeutics HRH4, HRH3, HTR3C SMN1; SMN2 1850/4885MAPT 2619/4885NAMPT 2957/4885

“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.