SCHEMBL1189701

SCHEMBL1189701

CC1(C)CN(C(=O)OCc2ccccc2)CC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
TMEM97 Q5BJF2 5/20 0.46
SIGMAR1 Q99720 5/20 0.46
HTR2C P28335 2/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
HRH2 P25021 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL3183005 0.86 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3983032 0.86 MEN1 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4172323 0.86 MEN1 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4172318 0.86 MEN1 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL23580651 0.83 SMN1; SMN2 (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3977702 0.82 MEN1 (0.45) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1189364 0.81 MEN1 (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3976953 0.80 MEN1 (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3975093 0.80 MEN1 (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL27733730 0.80 MEN1 (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022136174-A1 TRICYCLIC PYRIMIDINES AS CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-06-30 WO disclosed
EP-2686321-B1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL MYERS SQUIBB CO (US) 2016-11-16 EP disclosed
EP-2686321-B1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL MYERS SQUIBB CO (US) 2016-11-16 EP disclosed
EP-2217226-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-07-22 EP disclosed
US-8987268-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
US-8987268-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
US-8987268-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
EP-2686321-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES Bristol-Myers Squibb Company (US) 2014-01-22 EP disclosed
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 US disclosed
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 US disclosed
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 US disclosed
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2013-02-21 US disclosed
WO-2012125893-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 WO disclosed
WO-2012125893-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 WO disclosed
US-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 US disclosed
EP-2217226-A1 PEPTIDE DEFORMYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-08-18 EP disclosed
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2009-12-10 US disclosed
WO-2009061879-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 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 (3 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-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DPEP1, DHPS MEN1 2465/4885KMT2A 1907/4885NPSR1 1670/4885
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 MEN1 3601/4885KMT2A 1997/4885NPSR1 3477/4885
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, PADI3 MEN1 3499/4885KMT2A 2169/4885NPSR1 2601/4885

“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.