SCHEMBL4847154

SCHEMBL4847154

COC(=O)CC(CCc1ccccc1OC)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HPGD P15428 3/20 0.47
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
GAA P10253 2/20 0.46
ATM Q13315 1/20 0.46
HTT P42858 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
CTSG P08311 1/20 0.43
CTRB1 P17538 1/20 0.43
BCHE P06276 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
SCHEMBL4881537 0.91 TAAR1 (0.50) TAAR1KMT2AMEN1NPC1RAB9A
SCHEMBL4884489 0.91 TAAR1 (0.50) TAAR1KMT2AMEN1NPC1RAB9A
SCHEMBL4881521 0.91 TAAR1 (0.50) TAAR1KMT2AMEN1NPC1RAB9A
SCHEMBL4850667 0.88 CTSG (0.53) KMT2AMEN1HPGDGAAATM
SCHEMBL4858012 0.88 MEN1 (0.50) TAAR1KMT2AMEN1NPC1RAB9A
SCHEMBL4848772 0.86 ALDH1A1 (0.48) KMT2AMEN1RAB9AHPGDGAA
SCHEMBL4848083 0.86 ALDH1A1 (0.56) KMT2AMEN1GAAATMALDH1A1
SCHEMBL4850726 0.85 SCN9A (0.46) TAAR1KMT2AMEN1NPC1RAB9A
SCHEMBL4856038 0.84 MEN1 (0.54) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL4850843 0.81 CTSG (0.47) KMT2AMEN1GAAATMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1493819-B1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER UBE INDUSTRIES (JP) 2014-11-12 EP disclosed
US-7449325-B2 Process for enzymatically producing either optically active N-substituted β-amino acids or esters thereof or optically active N-substituted 2-homopipecolic acids or esters thereof UBE INDUSTRIES, LTD. (JP) 2008-11-11 US disclosed
US-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester UBE INDUSTRIES, LTD. (JP) 2005-08-04 US disclosed
EP-1493819-A1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER Ube Industries, Ltd. (JP) 2005-01-05 EP 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 (1 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-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester CYP8B1, SRR, HM13 TAAR1 1576/4885KMT2A 4504/4885MEN1 3529/4885

“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.