SCHEMBL4716909

SCHEMBL4716909

NC1=NN(c2ccc(OCc3ccccc3)cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.44
SRD5A1 P18405 1/20 0.43
MAOB P27338 4/20 0.42
MAOA P21397 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 3/20 0.40
HRH1 P35367 1/20 0.40
ROCK2 O75116 1/20 0.39
GRM5 P41594 1/20 0.39

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
SCHEMBL10739294 0.80 MAOB (0.52) HRH3MAOBMAOASMN1; SMN2ALOX5
SCHEMBL10733723 0.80 RAB9A (0.51) HRH3MAOBMAOAGAAMAPT
SCHEMBL10733837 0.79 RAB9A (0.44) HRH3MAOBMAOAGAAMAPT
SCHEMBL10736538 0.77 CYP3A4 (0.50) HRH3MAOBMAOAGAAMAPT
SCHEMBL25846133 0.75 HRH3 (0.49) HRH3MAOBMAOARAB9ASMN1; SMN2
SCHEMBL17544129 0.74 SRD5A1 (0.47) HRH3SRD5A1MAOBMAOARAB9A
SCHEMBL4715703 0.74 MAPK14 (0.45) MAOBMAOAGAAMAPTRAB9A
SCHEMBL31710188 0.74 MAPK14 (0.45) MAOBMAOAGAAMAPTRAB9A
SCHEMBL907698 0.73 ALOX5 (0.45) GAAMAPTRAB9ASMN1; SMN2ALOX5
SCHEMBL8226269 0.73 HTR1A (0.59) HRH3

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
EP-1483266-B1 SPIRO COMPOUNDS WITH NPY ANTAGONISTIC ACTIVITY BANYU PHARMA CO LTD (JP) 2008-02-27 EP disclosed
US-7304072-B2 E.g.,cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro[cyclohexane-1,1'(3'H)-isobenzofuran]-4-carboxamide; useful as neuropeptide Y receptor antagonists and as agents for therapy of cardiovascular disorders, central nervous system disorders, metabolic diseases, respiratory and urogenital disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-04 US disclosed
US-20050032820-A1 Novel spiro compounds MSD K.K. (JP) 2005-02-10 US disclosed
WO-2003076443-A9 SPIRO COMPOUNDS WITH NPY ANTAGONISTIC ACTIVITY BANYU PHARMA CO LTD (JP) 2005-01-20 WO disclosed
EP-1483266-A1 SPIRO COMPOUNDS WITH NPY ANTAGONISTIC ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-12-08 EP disclosed
US-6803372-B2 SUCH AS CIS-N-(4-BENZOYLPHENYL)-4-HYDROXY-3'-OXOSPIRO (CYCLOHEXANE-1,1' (3'H)-ISOBENZOFURAN)-4-CARBOXAMIDE FOR USE AS NEUROPEPTIDE Y RECEPTOR ANTAGONIST FOR TREATMENT BULIMIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-10-12 US disclosed
WO-2003076443-A1 SPIRO COMPOUNDS WITH NPY ANTAGONISTIC ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 WO disclosed
US-20020188124-A1 Such as cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro (cyclohexane-1,1' (3'H)-isobenzofuran)-4-carboxamide for use as neuropeptide Y receptor antagonist for treatment bulimia, obesity or diabetes MSD K.K. (JP) 2002-12-12 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-20020188124-A1 Such as cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro (cyclohexane-1,1' (3'H)-isobenzofuran)-4-carboxamide for use as neuropeptide Y receptor antagonist for treatment bulimia, obesity or diabetes NPY1R, GPR119, NPY2R HRH3 291/4885SRD5A1 267/4885MAOB 586/4885
US-20050032820-A1 Novel spiro compounds NR3C2, GPR119, NPY2R HRH3 297/4885SRD5A1 167/4885MAOB 672/4885

“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.