SCHEMBL4476829

SCHEMBL4476829

O=C(O)C(CCCN1CCc2oc3ccccc3c2C1)(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.56
▸ ADRA2A P08913 14/20 0.44
▸ ADRA2B P18089 14/20 0.44
▸ ADRA2C P18825 14/20 0.44
▸ ADRA1A P35348 14/20 0.44
▸ HTR1A P08908 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ HTR2B P41595 1/20 0.41

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
Hydrochloric Acid SCHEMBL4471883 0.99 SIGMAR1 (0.55) SIGMAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL4477169 0.92 SIGMAR1 (0.54) SIGMAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL4473668 0.90 SIGMAR1 (0.52) SIGMAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL4473364 0.82 SIGMAR1 (0.56) SIGMAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL7147206 0.81 DRD2 (0.65) SIGMAR1HTR1ADRD2HTR2AHTR7
SCHEMBL7143960 0.79 HTR1A (0.60) SIGMAR1HTR1ADRD2HTR2AHTR7
SCHEMBL4473156 0.75 SIGMAR1 (0.61) SIGMAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL6869743 0.74 SIGMAR1 (0.62) SIGMAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL20502157 0.73 SIGMAR1 (1.00) SIGMAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL22528282 0.73 SIGMAR1 (0.80) SIGMAR1ADRA2AADRA2BADRA2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601734-B2 Such as methyl 5-(3,4-dihydro[1]benzofuro[3,2-c]pyridine-2(1H)-yl)-2,2-bis(4-fluorophenyl)pentanoate, having potent inhibitory effect on binding of alpha 2C-adrenoceptor; depression, anxiety, schizophrenia TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-10-13 — — US disclosed
US-7601734-B2 Such as methyl 5-(3,4-dihydro[1]benzofuro[3,2-c]pyridine-2(1H)-yl)-2,2-bis(4-fluorophenyl)pentanoate, having potent inhibitory effect on binding of alpha 2C-adrenoceptor; depression, anxiety, schizophrenia TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-10-13 — — US disclosed
US-7601734-B2 Such as methyl 5-(3,4-dihydro[1]benzofuro[3,2-c]pyridine-2(1H)-yl)-2,2-bis(4-fluorophenyl)pentanoate, having potent inhibitory effect on binding of alpha 2C-adrenoceptor; depression, anxiety, schizophrenia TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-10-13 — — US disclosed
US-20070244145-A1 Cyclic Amine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-10-18 — — US disclosed
US-20070244145-A1 Cyclic Amine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-10-18 — — US disclosed
US-20070244145-A1 Cyclic Amine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-10-18 — — US disclosed
EP-1757605-A1 CYCLIC AMINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-02-28 — — EP disclosed
EP-1757605-A1 CYCLIC AMINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-02-28 — — EP 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-20070244145-A1 Cyclic Amine Compound ADRA2C, ADRB2, NR2C2 SIGMAR1 148/4885ADRA2A 4/4885ADRA2B 6/4885

“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.

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