SCHEMBL1645938

SCHEMBL1645938

CCOC(=O)CC(N)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
MMP8 P22894 1/20 0.50
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
SLC15A1 P46059 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
SRR Q9GZT4 2/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
PPID Q08752 1/20 0.47
F10 P00742 1/20 0.45
SCN4A P35499 2/20 0.45
MMP2 P08253 1/20 0.45
F2 P00734 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
SCHEMBL1646942 1.00 EPHX1 (0.50) EPHX1MMP8ALDH1A1TSHRSLC15A1
SCHEMBL1912581 0.91 SRR (0.52) ALDH1A1TSHRMEN1NPC1KMT2A
SCHEMBL1912576 0.91 SRR (0.52) ALDH1A1TSHRMEN1NPC1KMT2A
Hydrochloric Acid SCHEMBL2874595 0.90 SRR (0.54) ALDH1A1TSHRSRRF2
Hydrochloric Acid SCHEMBL2874599 0.90 SRR (0.54) ALDH1A1TSHRSRRF2
SCHEMBL17335913 0.88 LTA4H (0.58) ALDH1A1
SCHEMBL17335946 0.87 F2 (0.42) ALDH1A1TSHRMEN1KMT2APKM
SCHEMBL14119359 0.85 SLC15A1 (0.63) EPHX1ALDH1A1SLC15A1KMT2AALPI
SCHEMBL28704585 0.85 SLC15A1 (0.63) EPHX1ALDH1A1SLC15A1KMT2AALPI
SCHEMBL17335899 0.84 SLC6A4 (0.53) ALDH1A1TSHRMEN1KMT2A

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015189862-A1 CHIRAL AMINES, A PROCESS FOR PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-17 WO claimed
EP-2308829-B1 A PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES JIANGSU HENGRUI MEDICINE CO (CN) 2017-06-14 EP disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
WO-2015189862-A1 CHIRAL AMINES, A PROCESS FOR PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-17 WO disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-8580997-B2 Process for preparing R-beta-amino phenylbutyric acid derivatives JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-11-12 US disclosed
US-20110130587-A1 PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2011-06-02 US disclosed
EP-2308829-A1 A PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES Jiangsu Hengrui Medicine Co., Ltd. (CN) 2011-04-13 EP disclosed
US-5672769-A CHEMICAL INTERMEDIATES FOR VIRICIDES, FUNGICIDES G. D. SEARLE & CO. (US) 1997-09-30 US disclosed
US-5670650-A ANTIVIRAL AND ANTIFUNGAL AGENTS G. D. SEARLE & CO. (US) 1997-09-23 US disclosed
EP-0614360-B1 SUBSTITUTED BETA-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1997-03-19 EP disclosed
US-5599947-A VIRICIDES, FUNGICIDES OR THEIR PRODRUGS G. D. SEARLE & CO. (US) 1997-02-04 US disclosed
EP-0614360-A1 SUBSTITUTED -g(b)-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS. SEARLE & CO (US) 1994-09-14 EP disclosed
US-5344957-A Amidinoiphenyl-substituted G.D. SEARLE & CO. (US) 1994-09-06 US disclosed
US-5239113-A Anticoagulants MONSANTO COMPANY (US) 1993-08-24 US disclosed
EP-0542708-A1 Substituted B-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-05-19 EP disclosed
WO-1993007867-A1 SUBSTITUTED β-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 WO disclosed
US-4120965-A SLEEP-PROMOTING AGENTS, ANTI-AGGRESSIVE AGENTS SANDOZ LTD. (CH) 1978-10-17 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 EPHX1 3305/4885MMP8 2565/4885ALDH1A1 2293/4885
US-20110130587-A1 PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES ALAD, DAO, DDO EPHX1 3050/4885MMP8 4805/4885ALDH1A1 1465/4885

“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.