SCHEMBL4672807

SCHEMBL4672807

CC(C)(C)OC(=O)N1CCC(O)(c2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.53
OPRK1 P41145 1/20 0.53
YAP1 P46937 3/20 0.53
PRMT5 O14744 4/20 0.49
TACR1 P25103 1/20 0.48
GPR119 Q8TDV5 3/20 0.47
CHRM4 P08173 1/20 0.46
ADAM17 P78536 2/20 0.46
STS P08842 1/20 0.46
CCR1 P32246 1/20 0.45
MMP2 P08253 2/20 0.45
MMP13 P45452 1/20 0.45
MMP9 P14780 1/20 0.45

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
SCHEMBL8398896 0.91 YAP1 (0.49) OPRD1OPRK1YAP1PRMT5TACR1
SCHEMBL2582728 0.88 TACR1 (0.51) OPRD1OPRK1YAP1TACR1GPR119
SCHEMBL24310162 0.87 YAP1 (0.56) OPRD1OPRK1YAP1PRMT5TACR1
SCHEMBL751049 0.86 OPRD1 (0.53) OPRD1OPRK1CHRM4ADAM17CCR1
SCHEMBL6043019 0.85 GPR119 (0.52) OPRD1OPRK1YAP1TACR1GPR119
SCHEMBL3044892 0.85 PARP10 (0.51) OPRD1OPRK1TACR1GPR119
SCHEMBL240381 0.84 TSHR (0.57) OPRD1OPRK1TACR1GPR119CHRM4
SCHEMBL1979306 0.84 YAP1 (0.49) OPRD1OPRK1YAP1PRMT5TACR1
SCHEMBL8194760 0.83 YAP1 (0.49) OPRD1OPRK1YAP1PRMT5TACR1
SCHEMBL8194978 0.83 YAP1 (0.49) OPRD1OPRK1YAP1PRMT5TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
EP-1610786-B9 4-(4-(HETEROCYCLYLALKOXY PHENYL)-1-(HETEROCYCLYL-CARBONYL)PIPERIDINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H3 ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL DISEASES SUCH AS ALZHEIMER'S GLAXO GROUP LTD (GB) 2008-02-27 EP disclosed
EP-1610786-B1 4-(4-(HETEROCYCLYLALKOXY PHENYL)-1-(HETEROCYCLYL-CARBONYL)PIPERIDINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H3 ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL DISEASES SUCH AS ALZHEIMER'S GLAXO GROUP LTD (GB) 2007-06-20 EP disclosed
US-20060205774-A1 4-(4-(Heterocyclylakoxy) phenyl-1-(heterocyclyl-carbonyl) piperidine derivavites and related compounds as histamine h3 antagonists for the treatment of neurological diseases such as alzheimer's GLAXO GROUP LIMITED (GB) 2006-09-14 US disclosed
EP-1610786-A1 4-(4-(HETEROCYCLYLALKOXY PHENYL)-1-(HETEROCYCLYL-CARBONYL)PIPERIDINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H3 ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL DISEASES SUCH AS ALZHEIMER'S GLAXO GROUP LIMITED (GB) 2006-01-04 EP disclosed
WO-2004089373-A1 4- (4-(HETEROCYCLYLALKOXY}PHENYL)-1-(HETEROCYCLYL-CARBONYL)PIPERIDINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H3 ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL DISEASES SUCH AS ALZHEIMER’S GLAXO GROUP LIMITED (GB) 2004-10-21 WO disclosed
WO-2000063173-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PIPERIDINES F. HOFFMANN-LA ROCHE AG (CH) 2000-10-26 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 (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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B OPRD1 2111/4885OPRK1 2500/4885YAP1 1548/4885
US-20060205774-A1 4-(4-(Heterocyclylakoxy) phenyl-1-(heterocyclyl-carbonyl) piperidine derivavites and related compounds as histamine h3 antagonists for the treatment of neurological diseases such as alzheimer's HRH3, HRH4, HRH1 OPRD1 427/4885OPRK1 115/4885YAP1 4153/4885

“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.