SCHEMBL171620

SCHEMBL171620

c1ccc(CN2CCC(c3ccc(-c4ccccc4)cn3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.55
DRD2 P14416 10/20 0.54
DRD4 P21917 10/20 0.54
DRD3 P35462 10/20 0.54
HTR2B P41595 1/20 0.51
RET P07949 1/20 0.51
USP30 Q70CQ3 1/20 0.49
ACHE P22303 1/20 0.49
HTR2A P28223 1/20 0.48
KCNH2 Q12809 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
CCR3 P51677 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
SCHEMBL171680 0.93 DRD2 (0.61) HPGDSDRD2DRD4DRD3RET
SCHEMBL13490554 0.92 DRD4 (0.50) HPGDSDRD2DRD4DRD3HTR2B
SCHEMBL169363 0.84 DRD2 (0.60) HPGDSDRD2DRD4DRD3ACHE
SCHEMBL13490551 0.83 DRD2 (0.52) HPGDSDRD2DRD4DRD3ACHE
SCHEMBL13490548 0.83 DRD4 (0.52) HPGDSDRD2DRD4DRD3ACHE
SCHEMBL13490679 0.80 HRH3 (0.55) DRD2DRD4DRD3RETACHE
SCHEMBL6195713 0.80 DRD4 (0.59) DRD2DRD4DRD3ACHECCR3
SCHEMBL9070278 0.79 MEN1 (0.67) DRD2DRD4DRD3HTR2BACHE
SCHEMBL171528 0.79 RET (0.52) HPGDSDRD2DRD4DRD3RET
SCHEMBL3063422 0.78 HRH3 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530662-B2 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2013-09-10 US disclosed
US-8530662-B2 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2013-09-10 US disclosed
EP-2426120-A1 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them Fujifilm Finechemicals Co., Ltd. (JP) 2012-03-07 EP disclosed
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 US disclosed
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 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-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them QDPR, HRH4, HRH2 HPGDS 443/4885DRD2 130/4885DRD4 112/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 HPGDS 323/4885DRD2 112/4885DRD4 107/4885

“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.