SCHEMBL14830900

SCHEMBL14830900

O=C(O)C1(N(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
CA2 P00918 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
AKR1B1 P15121 1/20 0.39

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
SCHEMBL15688938 0.93 NPC1 (0.41) NPC1RAB9ACA12CA9NPSR1
SCHEMBL1964253 0.93 AKR1C1 (0.43) NPC1RAB9ACA12CA9NPSR1
SCHEMBL372682 0.91 AKR1C1 (0.42) NPC1RAB9ACA12CA9NPSR1
SCHEMBL17113633 0.91 AKR1C1 (0.42) NPC1RAB9ACA12CA9NPSR1
SCHEMBL14830423 0.85 NPC1 (0.49) NPC1RAB9ACA12CA9NPSR1
SCHEMBL16096494 0.84 NPC1 (0.43) NPC1RAB9ACA12CA9NPSR1
SCHEMBL185865 0.84 NPC1 (0.40) NPC1RAB9ACA12CA9NPSR1
SCHEMBL28813798 0.82 LMNA (0.45) NPC1RAB9ACA12CA9NPSR1
SCHEMBL15111158 0.81 OPRM1 (0.51) NPC1RAB9ACA12CA9NPSR1
SCHEMBL16095167 0.81 OPRM1 (0.46) NPC1RAB9ACA12CA9NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 US disclosed
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 US disclosed
US-10138256-B2 MK2 inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-11-27 US disclosed
EP-2968339-A1 MK2 INHIBITORS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2016-01-20 EP disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
US-20140309275-A1 Sphingosine Analogs, Compositions, and Methods Related Thereto UNIV EMORY (US) 2014-10-16 US disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 WO disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 WO disclosed
EP-2760820-A2 SPHINGOSINE ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO Emory University (US) 2014-08-06 EP disclosed
CN-103958457-A Sphingosine analogs, compositions, and methods related thereto UNIV EMORY 2014-07-30 CN disclosed
WO-2013049280-A2 SPHINGOSINE ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2013-04-04 WO disclosed
WO-2013049280-A2 SPHINGOSINE ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2013-04-04 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 (4 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-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 NPC1 3265/4885RAB9A 3788/4885CA12 2467/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 NPC1 3265/4885RAB9A 3788/4885CA12 2467/4885
US-20140309275-A1 Sphingosine Analogs, Compositions, and Methods Related Thereto SPHK1, S1PR1, S1PR2 NPC1 499/4885RAB9A 1163/4885CA12 2848/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 NPC1 3265/4885RAB9A 3788/4885CA12 2467/4885

“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.