SCHEMBL17524653

SCHEMBL17524653

O=C(CCc1ccccc1)N1C(=O)OC[C@H]1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 6/20 0.57
NPC1 O15118 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
FKBP1A P62942 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.44
FAAH O00519 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IDH1 O75874 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
SCHEMBL9557086 1.00 NAAA (0.57) NAAANPC1LMNATP53HPGD
SCHEMBL19281759 1.00 NAAA (0.57) NAAANPC1LMNATP53HPGD
SCHEMBL14541033 0.88 ALDH1A1 (0.53) NAAANPC1LMNATP53RAB9A
SCHEMBL20902214 0.88 NAAA (0.46) NAAANPC1LMNATP53HPGD
SCHEMBL18007116 0.87 NAAA (0.57) NAAANPC1LMNATP53HPGD
SCHEMBL19810282 0.87 NAAA (0.57) NAAANPC1LMNATP53HPGD
SCHEMBL31354985 0.86 HPGD (0.50) NAAANPC1LMNATP53HPGD
SCHEMBL23327035 0.85 CASP3 (0.48) NAAALMNARAB9AALDH1A1HTT
SCHEMBL23327036 0.85 CASP3 (0.48) NAAALMNARAB9AALDH1A1HTT
SCHEMBL13340721 0.85 NAAA (0.49) NAAANPC1LMNATP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093625-B2 Process for the preparation of [[2(S)-[[4(R)-(3-hydroxyphenyl)-3(R),4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]amino]acetic acid dihydrate MSN LABORATORIES PRIVATE LIMITED (IN) 2018-10-09 US claimed
US-20170247328-A1 IMPROVED PROCESS FOR THE PREPARATION OF [[2(S)-[[4(R)-(3-HYDROXYPHENYL)-3(R),4-DIMETHYL-1-PIPERIDINYL]METHYL]-1-OXO-3-PHENYLPROPYL]AMINO]ACETIC ACID DIHYDRATE MSN LABORATORIES PRIVATE LIMITED (IN) 2017-08-31 US claimed
US-10669250-B2 Hypervalent iodine CF2CF2X reagents and their use ETH ZURICH (CH) 2020-06-02 US disclosed
US-20190040036-A1 HYPERVALENT IODINE CF2CF2X REAGENTS AND THEIR USE ETH ZURICH (CH) 2019-02-07 US disclosed
US-10093625-B2 Process for the preparation of [[2(S)-[[4(R)-(3-hydroxyphenyl)-3(R),4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]amino]acetic acid dihydrate MSN LABORATORIES PRIVATE LIMITED (IN) 2018-10-09 US disclosed
US-10040812-B2 Hypervalent iodine CF2CF2X reagents and their use ETH ZURICH (CH) 2018-08-07 US disclosed
US-10040812-B2 Hypervalent iodine CF2CF2X reagents and their use ETH ZURICH (CH) 2018-08-07 US disclosed
US-20170247328-A1 IMPROVED PROCESS FOR THE PREPARATION OF [[2(S)-[[4(R)-(3-HYDROXYPHENYL)-3(R),4-DIMETHYL-1-PIPERIDINYL]METHYL]-1-OXO-3-PHENYLPROPYL]AMINO]ACETIC ACID DIHYDRATE MSN LABORATORIES PRIVATE LIMITED (IN) 2017-08-31 US disclosed
US-20170247328-A1 IMPROVED PROCESS FOR THE PREPARATION OF [[2(S)-[[4(R)-(3-HYDROXYPHENYL)-3(R),4-DIMETHYL-1-PIPERIDINYL]METHYL]-1-OXO-3-PHENYLPROPYL]AMINO]ACETIC ACID DIHYDRATE MSN LABORATORIES PRIVATE LIMITED (IN) 2017-08-31 US disclosed
US-20170247328-A1 IMPROVED PROCESS FOR THE PREPARATION OF [[2(S)-[[4(R)-(3-HYDROXYPHENYL)-3(R),4-DIMETHYL-1-PIPERIDINYL]METHYL]-1-OXO-3-PHENYLPROPYL]AMINO]ACETIC ACID DIHYDRATE MSN LABORATORIES PRIVATE LIMITED (IN) 2017-08-31 US disclosed
US-20170233420-A1 HYPERVALENT IODINE CF2CF2X REAGENTS AND THEIR USE ETH ZURICH (CH) 2017-08-17 US disclosed
US-20170233420-A1 HYPERVALENT IODINE CF2CF2X REAGENTS AND THEIR USE ETH ZURICH (CH) 2017-08-17 US disclosed
WO-2016019475-A1 HYPERVALENT IODINE CF2CF2X REAGENTS AND THEIR USE ETH ZURICH (CH) 2016-02-11 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 (6 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-20170233420-A1 HYPERVALENT IODINE CF2CF2X REAGENTS AND THEIR USE TPO, CYP4F2, FANCF NAAA 1130/4885NPC1 2516/4885LMNA 4834/4885
US-10669250-B2 Hypervalent iodine CF2CF2X reagents and their use TPO, FANCF, FANCI NAAA 3222/4885NPC1 2420/4885LMNA 4363/4885
US-20170247328-A1 IMPROVED PROCESS FOR THE PREPARATION OF [[2(S)-[[4(R)-(3-HYDROXYPHENYL)-3(R),4-DIMETHYL-1-PIPERIDINYL]METHYL]-1-OXO-3-PHENYLPROPYL]AMINO]ACETIC ACID DIHYDRATE HPD, GRHPR, HCAR2 NAAA 681/4885NPC1 4545/4885LMNA 4313/4885
US-10093625-B2 Process for the preparation of [[2(S)-[[4(R)-(3-hydroxyphenyl)-3(R),4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]amino]acetic acid dihydrate HPD, HCAR2, GRHPR NAAA 744/4885NPC1 4530/4885LMNA 4189/4885
US-20190040036-A1 HYPERVALENT IODINE CF2CF2X REAGENTS AND THEIR USE TPO, FANCF, FANCI NAAA 3222/4885NPC1 2420/4885LMNA 4363/4885
US-10040812-B2 Hypervalent iodine CF2CF2X reagents and their use TPO, CYP4F2, FANCF NAAA 1130/4885NPC1 2516/4885LMNA 4834/4885

“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.