SCHEMBL16761998

SCHEMBL16761998

CCOC(=O)CCNC(C)Cc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
MAPT P10636 1/20 0.46
ACACB O00763 1/20 0.45
EPHX2 P34913 2/20 0.44
SLC2A1 P11166 2/20 0.44
FPR2 P25090 1/20 0.43
MMEL1 Q495T6 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL27481292 0.79 HDAC3 (0.47) MAPTEPHX2MMEL1CYP4F2CYP4A11
SCHEMBL11796548 0.77 SIGMAR1 (0.57) SIGMAR1ALDH1A1
SCHEMBL16839761 0.77 MAPT (0.57) MAPTEPHX2CYP4F2CYP4A11MEN1
SCHEMBL28445360 0.76 MAPT (0.48) MAPTEPHX2MEN1KMT2AKDM4E
SCHEMBL16839758 0.75 MAPT (0.54) MAPTEPHX2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL4681889 0.75 SIGMAR1 (0.66) SIGMAR1ACACBADRB2ADRB1
SCHEMBL95661 0.75 CYP4F2 (0.72) MAPTCYP4F2CYP4A11GAAMEN1
SCHEMBL7369951 0.74 EPHX2 (0.49) MAPTEPHX2MMEL1CYP4F2CYP4A11
SCHEMBL3987200 0.74 GAA (0.46) CYP4F2CYP4A11GAAKMT2AKDM4E
SCHEMBL10736489 0.74 CYP4F2 (0.66) MAPTCYP4F2CYP4A11KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 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
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
EP-2881384-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2015-06-10 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 SIGMAR1 618/4885MAPT 4203/4885ACACB 2873/4885

“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.