SCHEMBL2129

SCHEMBL2129

OCC1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.58
SLC6A3 Q01959 6/20 0.58
SLC6A2 P23975 5/20 0.53
DRD2 P14416 2/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
PRKAB2 O43741 2/20 0.44
PRKAG1 P54619 2/20 0.44
PRKAA2 P54646 2/20 0.44
PRKAA1 Q13131 2/20 0.44
PRKAG3 Q9UGI9 2/20 0.44
PRKAG2 Q9UGJ0 2/20 0.44
PRKAB1 Q9Y478 2/20 0.44
HSD11B1 P28845 2/20 0.41
HDAC4 P56524 1/20 0.41
HTR2B P41595 2/20 0.40
HTR2C P28335 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 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
SCHEMBL5873448 0.96 SLC6A4 (0.63) SLC6A4SLC6A3SLC6A2DRD2DRD4
SCHEMBL28438976 0.94 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2DRD2DRD4
SCHEMBL3615305 0.91 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2DRD2DRD4
SCHEMBL188283 0.82 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2DRD2DRD4
SCHEMBL11826316 0.81 PDE4A (0.45) SLC6A4SLC6A3SLC6A2DRD2DRD4
SCHEMBL5356990 0.81 DRD2 (0.53) SLC6A4SLC6A3SLC6A2DRD2DRD4
SCHEMBL16565548 0.80 P2RX7 (0.52) SLC6A4SLC6A3SLC6A2DRD2DRD4
SCHEMBL21078008 0.80 DRD2 (0.49) SLC6A4SLC6A3SLC6A2DRD2DRD4
SCHEMBL2321615 0.79 ALDH1A1 (0.43) SLC6A4SLC6A3SLC6A2PRKAB2PRKAG1
SCHEMBL3616662 0.79 SLC6A4 (0.58) SLC6A4SLC6A3SLC6A2DRD2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187437-B2 Substituted oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-17 US disclosed
EP-2619190-B1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP disclosed
EP-2595969-B1 Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO (US) 2015-04-22 EP disclosed
US-8822510-B2 Substituted 3-phenyl-1,2,4-Oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
EP-2619190-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS Bristol-Myers Squibb Company (US) 2013-07-31 EP disclosed
US-20130190361-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-25 US disclosed
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUBIB COMPANY 2013-06-20 US disclosed
EP-2595969-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2013-05-29 EP disclosed
WO-2012040532-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 WO disclosed
WO-2012012477-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 WO disclosed
WO-2002051831-A1 OXYBENZAMIDES DERIVATIVES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-07-04 WO disclosed
CN-1012733-B Process for the preparation of therapeutic agents BOOTS CO PLC (GB) 1991-06-05 CN disclosed
US-4814352-A ANTIDEPRESSANT CYCLOBUTYL BENZYLAMINE THE BOOTS COMPANY PLC (GB) 1989-03-21 US disclosed
US-4806570-A ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1989-02-21 US disclosed
US-4767790-A ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1988-08-30 US disclosed
US-4746680-A ANTIDEPRESSANTS THE BOOTS COMPANY P.L.C. (GB) 1988-05-24 US disclosed
US-4670454-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1987-06-02 US disclosed
CN-86100954-A The preparation method of therapeutical agent and application 1986-09-03 CN disclosed
US-4522828-A CYCLOBUTYLALKYLAMINE COMPOUNDS, ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1985-06-11 US disclosed
US-4443449-A Arylcyclobutylalkylamines and anti-depression composition and methods using same THE BOOTS COMPANY LIMITED (GB) 1984-04-17 US 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-20130190361-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 SLC6A4 2567/4885SLC6A3 2098/4885SLC6A2 2022/4885
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 SLC6A4 2698/4885SLC6A3 2766/4885SLC6A2 2889/4885

“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.