SCHEMBL3511170

SCHEMBL3511170

COC(=O)c1ccc(Cl)nc1CN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.55
HCRTR2 O43614 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL3509962 0.83 PARP1 (0.47) ALDH1A1CNR1CNR2
SCHEMBL3509848 0.82 CNR2 (0.42) HCRTR1HCRTR2SMN1; SMN2KMT2AALDH1A1
SCHEMBL18394714 0.78 ALDH1A1 (0.52) HCRTR1HCRTR2SMN1; SMN2MAPK1KMT2A
SCHEMBL22946201 0.77 HCRTR1 (0.57) HCRTR1HCRTR2SMN1; SMN2MAPK1KMT2A
SCHEMBL27928574 0.75 HCRTR1 (0.49) HCRTR1HCRTR2SMN1; SMN2MAPK1KMT2A
SCHEMBL1249445 0.75 TUBB4A (0.49) SMN1; SMN2MAPK1ALDH1A1HSD17B10TSHR
SCHEMBL29361239 0.75 TUBB4A (0.49) SMN1; SMN2MAPK1ALDH1A1HSD17B10TSHR
SCHEMBL29363921 0.75 TUBB4A (0.49) SMN1; SMN2MAPK1ALDH1A1HSD17B10TSHR
SCHEMBL31172721 0.75 TUBB4A (0.49) SMN1; SMN2MAPK1KMT2AALDH1A1HSD17B10
SCHEMBL3718271 0.75 TUBB4A (0.49) SMN1; SMN2MAPK1ALDH1A1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 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 (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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 HCRTR1 4123/4885HCRTR2 4002/4885SMN1; SMN2 3716/4885

“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.