SCHEMBL1828751

SCHEMBL1828751

FC1CCN(C2CCCC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.43
PHGDH O43175 1/20 0.40
MGLL Q99685 1/20 0.40
HTR6 P50406 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
ABCB1 P08183 1/20 0.38
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36

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
SCHEMBL17665810 0.97 SLC18A3 (0.47) SLC18A3PHGDHMGLLHTR6OPRM1
SCHEMBL29750851 0.88 HRH3 (0.36) SLC18A3ABCB1L3MBTL3L3MBTL1HRH3
SCHEMBL2115182 0.84 SLC18A3 (0.35) SLC18A3PHGDHMGLLOPRM1OPRL1
SCHEMBL16387906 0.83 HRH3 (0.41) SLC18A3HTR6ABCB1L3MBTL3L3MBTL1
SCHEMBL27376990 0.83 DPP4 (0.38) SLC18A3PHGDHMGLLOPRM1OPRL1
SCHEMBL2117622 0.83 HRH3 (0.38) SLC18A3OPRM1OPRL1POLBHSD17B10
SCHEMBL2115183 0.82 PHGDH (0.35) SLC18A3PHGDHMGLLOPRM1ABCB1
SCHEMBL20095585 0.81 DPP4 (0.41) SLC18A3PHGDHMGLLOPRM1OPRL1
SCHEMBL14529033 0.81 L3MBTL1 (0.46) L3MBTL3L3MBTL1MEN1KMT2AHRH3
SCHEMBL2117627 0.81 HRH3 (0.37) SLC18A3PHGDHMGLLOPRM1L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3943080-A1 LEVODOPA FORMULATIONS FOR RAPID RELIEF OF PARKINSON'S DISEASE Civitas Therapeutics, Inc. (US) 2022-01-26 EP disclosed
EP-3831375-A1 RAPID RELIEF OF MOTOR FLUCTUATIONS IN PARKINSON'S DISEASE Civitas Therapeutics, Inc. (US) 2021-06-09 EP disclosed
US-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2011-07-28 US disclosed
EP-2318400-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2011-05-11 EP disclosed
WO-2010013037-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-02-04 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 (1 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-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS SHH, SMO, GLI1 SLC18A3 4425/4885PHGDH 2329/4885MGLL 4793/4885

“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.