SCHEMBL512494

SCHEMBL512494

CCOC(=O)CCNCC(C(=O)OCC)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
LTA4H P09960 2/20 0.48
TOP2A P11388 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MMP8 P22894 1/20 0.47

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
Oxalic Acid SCHEMBL10964286 0.97 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C19LTA4HTOP2A
Phosphoric Acid SCHEMBL5804027 0.95 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C19LTA4HTOP2A
SCHEMBL10963902 0.93 CA12 (0.46) CYP3A4CYP2D6CYP2C19ALDH1A1MMP8
SCHEMBL361963 0.86 MAPT (0.43) CYP2C19ALDH1A1
SCHEMBL10266709 0.84 SMN1; SMN2 (0.50) ALDH1A1MMP8
SCHEMBL11494074 0.84 MMP8 (0.53) ALDH1A1MMP8
SCHEMBL10258404 0.83 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C19LTA4HTOP2A
SCHEMBL7288615 0.81 MMP8 (0.49) CYP3A4CYP2D6CYP2C19ALDH1A1MMP8
SCHEMBL3998475 0.81 SLC6A3 (0.44) ALDH1A1
SCHEMBL1916468 0.80 SMN1; SMN2 (0.58) MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668168-B1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed
EP-2668168-B1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-26 US disclosed
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-26 US disclosed
EP-2459197-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-10-14 EP disclosed
EP-2459197-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-10-14 EP disclosed
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-06-04 US disclosed
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-06-04 US disclosed
US-8710061-B2 Compounds for the reduction of β-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
US-8710061-B2 Compounds for the reduction of β-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
EP-1553084-A1 PIPERIDINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP disclosed
EP-0034647-B1 4-ARYLOXY-3-PHENYLPIPERIDINE DERIVATIVES, INTERMEDIATES, A PROCESS FOR THE PREPARATION OF SUCH COMPOUNDS AND THEIR USE AS MEDICAMENTS HOECHST AKTIENGESELLSCHAFT (DE) 1985-06-05 EP disclosed
US-4424357-A Process for preparing 4-aryloxy-3-phenylpiperidines HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1984-01-03 US disclosed
EP-0014997-B1 4-ARYLOXY- AND 4-ARYLTHIO-3-PHENYLPIPERIDINE DERIVATIVES, A PROCESS FOR THE PREPARATION OF SUCH COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1983-07-20 EP disclosed
US-4382141-A ANTIDEPRESSANTS, ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1983-05-03 US disclosed
US-4312876-A CENTRAL NERVOUS SYSTEM HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-01-26 US disclosed
US-4302590-A THE 4-HYDROXY DERIVATIVE; ANALGESICS, ANTIDEPRESSANTS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1981-11-24 US disclosed
EP-0034647-A2 4-Aryloxy-3-phenylpiperidine derivatives, intermediates, a process for the preparation of such compounds and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-02 EP disclosed
EP-0014997-A1 4-Aryloxy- and 4-arylthio-3-phenylpiperidine derivatives, a process for the preparation of such compounds and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1980-09-03 EP disclosed
US-4216218-A Antidepressant and analgesic 4-aryloxy- and 4-arylthio-3-phenylpiperidines AMERICAN HOECHST CORPORATION (US) 1980-08-05 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-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP CYP3A4 2737/4885CYP2D6 3158/4885CYP2C19 4099/4885
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP CYP3A4 2737/4885CYP2D6 3158/4885CYP2C19 4099/4885

“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.