SCHEMBL3073527

SCHEMBL3073527

CC(C)(C)OC(=O)N1CCC(Oc2ccc(F)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.65
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CHEK2 O96017 1/20 0.53
ALDH1A1 P00352 1/20 0.52
KDM1A O60341 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
USP30 Q70CQ3 1/20 0.50
MMP13 P45452 1/20 0.49

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
SCHEMBL19838602 0.95 GPR119 (0.61) GPR119MEN1KMT2ACHEK2ALDH1A1
SCHEMBL3377761 0.92 GPR119 (0.57) GPR119MEN1KMT2ACHEK2ALDH1A1
SCHEMBL19838626 0.92 GPR119 (0.57) GPR119MEN1KMT2ACHEK2ALDH1A1
SCHEMBL5534425 0.90 GPR119 (0.55) GPR119MEN1KMT2ACHEK2ALDH1A1
SCHEMBL264162 0.88 GPR119 (0.67) GPR119CHEK2ALDH1A1KDM1AHRH3
SCHEMBL74203 0.88 GPR119 (0.67) GPR119CHEK2ALDH1A1HRH3USP30
SCHEMBL12533230 0.88 GPR119 (0.67) GPR119CHEK2ALDH1A1MMP13
SCHEMBL2735422 0.88 GPR119 (0.67) GPR119KMT2ACHEK2ALDH1A1HRH3
SCHEMBL5538341 0.87 GPR119 (0.63) GPR119CHEK2ALDH1A1USP30MMP13
SCHEMBL2951108 0.87 GPR119 (0.63) GPR119CHEK2ALDH1A1HRH3USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230014173-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2023-01-19 US disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-11180472-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2021-11-23 US disclosed
US-20200239434-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2020-07-30 US disclosed
US-20190330189-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2019-10-31 US disclosed
US-10364232-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2019-07-30 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
US-20180186768-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-07-05 US disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed
EP-2079693-B1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2013-02-27 EP disclosed
US-7795437-B2 Ether derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-14 US disclosed
EP-2079693-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP disclosed
WO-2008052899-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO disclosed
US-20080103174-A1 ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
EP-1534677-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1ALPHA BINDING TO ITS RECEPTOR CCR1 Pfizer Products Inc. (US) 2005-06-01 EP disclosed
US-20040063759-A1 Novel piperidine derivatives PFIZER INC. 2004-04-01 US disclosed
WO-2004009550-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1ALPHA BINDING TO ITS RECEPTOR CCR1 PFIZER PRODUCTS INC. (US) 2004-01-29 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 (10 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-11180472-B2 Antibacterial compounds FDPS, SQOR, NDUFS3 GPR119 4679/4885MEN1 2036/4885KMT2A 4441/4885
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C GPR119 1545/4885MEN1 4388/4885KMT2A 572/4885
US-20190330189-A1 ANTIBACTERIAL COMPOUNDS FDPS, SQOR, NDUFS3 GPR119 4679/4885MEN1 2036/4885KMT2A 4441/4885
US-10364232-B2 Antibacterial compounds FDPS, SQOR, NDUFS3 GPR119 4679/4885MEN1 2036/4885KMT2A 4441/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C GPR119 1545/4885MEN1 4388/4885KMT2A 572/4885
US-20180186768-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 GPR119 4679/4885MEN1 2036/4885KMT2A 4441/4885
US-20230014173-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 GPR119 4679/4885MEN1 2036/4885KMT2A 4441/4885
US-20200239434-A1 ANTIBACTERIAL COMPOUNDS FDPS, SQOR, NDUFS3 GPR119 4679/4885MEN1 2036/4885KMT2A 4441/4885
US-20080103174-A1 ETHER DERIVATIVES GABRE, BDNF, ADH1A GPR119 887/4885MEN1 3393/4885KMT2A 492/4885
US-20040063759-A1 Novel piperidine derivatives CCR1, CCR3, CCR2 GPR119 416/4885MEN1 4730/4885KMT2A 3551/4885

“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.