SCHEMBL13865872

SCHEMBL13865872

C[C@H](NCc1ccccc1C(F)(F)F)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MRGPRX1 Q96LB2 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ TACR1 P25103 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ EPHX2 P34913 2/20 0.45
▸ PPARG P37231 2/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ SMPD1 P17405 1/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ TBXA2R P21731 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45

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
SCHEMBL800327 0.83 EPHX2 (0.46) MRGPRX1TACR1EPHX2PPARGSLC6A2
SCHEMBL30482017 0.83 EPHX2 (0.46) MRGPRX1TACR1EPHX2PPARGSLC6A2
SCHEMBL13077648 0.83 MEN1 (0.48) HDAC4HDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL18893127 0.79 EPHX2 (0.44) MRGPRX1EPHX2PPARG
SCHEMBL3679075 0.76 SMN1; SMN2 (0.57) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL3678237 0.76 MEN1 (0.54) MEN1KMT2ASMN1; SMN2LMNATACR1
SCHEMBL3678235 0.76 MEN1 (0.54) MEN1KMT2ASMN1; SMN2LMNATACR1
SCHEMBL3679074 0.76 SMN1; SMN2 (0.57) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL2168291 0.75 CASR (0.67) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL3746949 0.75 MEN1 (0.56) MEN1KMT2ASMN1; SMN2LMNATACR1

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-20090093650-A1 RESOLUTION OF ALPHA-(PHENOXY)PHENYLACETIC ACID DERIVATIVES WITH NAPHTHYL-ALKYLAMINES METABOLEX, INC. (US) 2009-04-09 — — US disclosed
US-20090093650-A1 RESOLUTION OF ALPHA-(PHENOXY)PHENYLACETIC ACID DERIVATIVES WITH NAPHTHYL-ALKYLAMINES METABOLEX, INC. (US) 2009-04-09 — — US disclosed
US-7432394-B2 Resolution of α-(phenoxy) phenylacetic acid derivatives with naphthyl-alkylamines METABOLEX, INC. (US) 2008-10-07 — — US disclosed
US-7432394-B2 Resolution of α-(phenoxy) phenylacetic acid derivatives with naphthyl-alkylamines METABOLEX, INC. (US) 2008-10-07 — — US disclosed
WO-2007038277-A2 RESOLUTION OF ALPHA-(PHENOXY) PHENYLACETIC ACID DERIVATIVES WITH NAPHTHYL-ALKYLAMINES METABOLEX, INC. (US) 2007-04-05 — — WO disclosed
US-20070073082-A1 Reacting enantiomers of 4-chloro- alpha -(3-trifluoromethylphenoxy)phenylacetic acid with (S)-(-)-1-(2-naphthyl)ethylamine to form an ammonium salt; separating the naphthylalkylammonium salt of the first enantiomer from the mixture; separating naphthylalkylamine METABOLEX, INC. (US) 2007-03-29 — — US disclosed
US-20070073082-A1 Reacting enantiomers of 4-chloro- alpha -(3-trifluoromethylphenoxy)phenylacetic acid with (S)-(-)-1-(2-naphthyl)ethylamine to form an ammonium salt; separating the naphthylalkylammonium salt of the first enantiomer from the mixture; separating naphthylalkylamine METABOLEX, INC. (US) 2007-03-29 — — 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-20070073082-A1 Reacting enantiomers of 4-chloro- alpha -(3-trifluoromethylphenoxy)phenylacetic acid with (S)-(-)-1-(2-naphthyl)ethylamine to form an ammonium salt; separating the naphthylalkylammonium salt of the first enantiomer from the mixture; separating naphthylalkylamine NAT1, SLC43A1, AGTR1 HDAC4 2126/4885HDAC6 1625/4885MEN1 3887/4885
US-20090093650-A1 RESOLUTION OF ALPHA-(PHENOXY)PHENYLACETIC ACID DERIVATIVES WITH NAPHTHYL-ALKYLAMINES ADRA1A, NAT1, PAOX HDAC4 1414/4885HDAC6 1181/4885MEN1 3037/4885

“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.

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