SCHEMBL160444

SCHEMBL160444

CCOC(=O)N1CCC(=O)C(Br)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 5/20 0.40
POLB P06746 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 3/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
RECQL P46063 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL15166573 0.87 LMNA (0.48) TSHRALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL4521914 0.86 GAA (0.51) GAATSHRALDH1A1POLBHTT
SCHEMBL5242304 0.85 RAB9A (0.40) LMNAMEN1KMT2ATDP1RAB9A
SCHEMBL4374906 0.82 ALDH1A1 (0.45) GAATSHRALDH1A1POLBHTT
SCHEMBL938094 0.82 GAA (0.42) GAATSHRALDH1A1POLBHTT
SCHEMBL13711179 0.81 GAA (0.41) GAATSHRALDH1A1POLBHTT
SCHEMBL13494279 0.81 GAA (0.41) GAATSHRALDH1A1POLBHTT
SCHEMBL742700 0.81 ALDH1A1 (0.44) GAATSHRALDH1A1POLBHTT
SCHEMBL4364361 0.81 GAA (0.41) GAATSHRALDH1A1POLBHTT
SCHEMBL18994370 0.79 ALDH1A1 (0.42) GAATSHRALDH1A1POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090632-B2 Bicyclic oxazole and thiazole compounds and their use as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2015-07-28 US disclosed
US-9090632-B2 Bicyclic oxazole and thiazole compounds and their use as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2015-07-28 US disclosed
US-9090632-B2 Bicyclic oxazole and thiazole compounds and their use as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2015-07-28 US disclosed
EP-2480549-B1 Fused imidazo[3,2-d]pyrazines as PI3 kinase inhibitors FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2015-04-08 EP disclosed
EP-2473510-B1 JAK2 INHIBITORS AND THEIR USE FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND CANCER BRISTOL MYERS SQUIBB CO (US) 2014-07-23 EP disclosed
US-8673933-B2 JAK2 inhibitors and their use for the treatment of myeloproliferative diseases and cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-18 US disclosed
US-20130261107-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2013-10-03 US disclosed
US-20130261107-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2013-10-03 US disclosed
US-20130261107-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2013-10-03 US disclosed
US-20130225551-A1 JAK2 INHIBITORS AND THEIR USE FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND CANCER BRISTOL-MYERS SQUIBB COMPANY 2013-08-29 US disclosed
US-5057525-A Stimulators of gastrointestinal motility JANSSEN PHARMACEUTICA N.V. (BE) 1991-10-15 US disclosed
US-5025014-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-06-18 US disclosed
US-4962115-A Stimulate motility of gastrointestinal system JANSSEN PHARMACEUTICA N.V. (BE) 1990-10-09 US disclosed
US-4888426-A CHEMICAL INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1989-12-19 US disclosed
EP-0121972-B1 N-ARYL-ALPHA-AMINO-CARBOXAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 1989-05-24 EP disclosed
US-4695569-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1987-09-22 US disclosed
EP-0076530-B1 NOVEL N-(3-HYDROXY-4-PIPERIDINYL)BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1985-12-11 EP disclosed
EP-0144101-A2 Bicyclic heterocyclyl containing N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-12 EP disclosed
EP-0121972-A2 N-aryl-alpha-amino-carboxamides JANSSEN PHARMACEUTICA N.V. (BE) 1984-10-17 EP disclosed
EP-0076530-A2 Novel N-(3-hydroxy-4-piperidinyl)benzamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1983-04-13 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 (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-20130225551-A1 JAK2 INHIBITORS AND THEIR USE FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND CANCER JAK2, JAK1, JAK3 GAA 1763/4885TSHR 1197/4885ALDH1A1 2563/4885
US-20130261107-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM1 GAA 2888/4885TSHR 284/4885ALDH1A1 4018/4885

“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.