SCHEMBL5208517

SCHEMBL5208517

CCN1CCC(Oc2ccc(C#N)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 1.00
GPR119 Q8TDV5 1/20 0.52
SIGMAR1 Q99720 2/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
FPR2 P25090 1/20 0.49
PROKR1 Q8TCW9 1/20 0.49
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
MLNR O43193 1/20 0.48

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
SCHEMBL5206619 0.90 HRH3 (1.00) HRH3GPR119SIGMAR1MAOAMAOB
SCHEMBL4237104 0.87 HRH3 (0.85) HRH3SIGMAR1MAOAMAOBHRH2
SCHEMBL5210038 0.85 HRH3 (1.00) HRH3GPR119SIGMAR1MAOAMAOB
SCHEMBL5207819 0.85 HRH3 (0.74) HRH3SIGMAR1HRH1
SCHEMBL229024 0.84 HRH3 (1.00) HRH3GPR119MAOAMAOBFPR2
SCHEMBL20158437 0.84 HRH3 (0.72) HRH3GPR119SIGMAR1MLNR
SCHEMBL4237843 0.82 HRH3 (0.72) HRH3SIGMAR1HRH2HRH1
SCHEMBL12803875 0.82 HRH3 (0.69) HRH3
SCHEMBL14924453 0.82 HRH3 (0.69) HRH3FPR2PROKR1
SCHEMBL4227981 0.81 HRH3 (1.00) HRH3MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-31 US disclosed
US-7241778-B2 Non-imidazole aryloxypiperidines ORTHO MCNEIL PHARMACEUTICAL, INC (US) 2007-07-10 US disclosed
US-7241778-B2 Non-imidazole aryloxypiperidines ORTHO MCNEIL PHARMACEUTICAL, INC (US) 2007-07-10 US disclosed
US-7241778-B2 Non-imidazole aryloxypiperidines ORTHO MCNEIL PHARMACEUTICAL, INC (US) 2007-07-10 US disclosed
EP-1311482-B1 NON-IMIDAZOLE ARYLOXYPIPERIDINES AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARM INC (US) 2007-02-21 EP disclosed
EP-1311482-B1 NON-IMIDAZOLE ARYLOXYPIPERIDINES AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARM INC (US) 2007-02-21 EP disclosed
US-7071191-B2 Non-imidazole aryloxypiperidines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-07-04 US disclosed
US-20050227979-A1 Non-imidazole aryloxypiperidines APODACA RICHARD 2005-10-13 US disclosed
EP-1311482-A2 NON-IMIDAZOLE ARYLOXYPIPERIDINES AS H3 RECEPTOR LIGANDS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-21 EP disclosed
US-20020040024-A1 Non-imidazole aryloxypiperidines NORTEL NETWORKS LIMITED (CA) 2002-04-04 US disclosed
WO-2002012190-A2 NON-IMIDAZOLE ARYLOXYPIPERIDINES AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 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 (3 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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 HRH3 1000/4885GPR119 1905/4885SIGMAR1 3807/4885
US-20020040024-A1 Non-imidazole aryloxypiperidines HRH2, HRH4, HRH3 HRH3 3/4885GPR119 153/4885SIGMAR1 56/4885
US-20050227979-A1 Non-imidazole aryloxypiperidines HRH2, HRH4, HRH3 HRH3 3/4885GPR119 153/4885SIGMAR1 56/4885

“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.