SCHEMBL1017258

SCHEMBL1017258

CC(=O)c1ccc(CN2CCOCC2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
MCHR1 Q99705 1/20 0.51
RAB9A P51151 4/20 0.50
LMNA P02545 3/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HIF1A Q16665 3/20 0.50
EPAS1 Q99814 3/20 0.50
TP53 P04637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 3/20 0.49
USP2 O75604 2/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 1/20 0.49
STAT3 P40763 1/20 0.49

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
SCHEMBL13634492 0.89 SMN1; SMN2 (0.50) HRH3RAB9ALMNANPC1SMN1; SMN2
SCHEMBL18374936 0.89 HTT (0.54) HRH3MCHR1RAB9ALMNANPC1
SCHEMBL27828943 0.86 MCHR1 (0.54) HRH3MCHR1RAB9ALMNANPC1
SCHEMBL15323477 0.86 L3MBTL1 (0.55) HRH3RAB9ALMNANPC1SMN1; SMN2
SCHEMBL18375622 0.84 TSHR (0.60) HRH3MCHR1RAB9ALMNANPC1
SCHEMBL12858537 0.83 ALDH1A1 (0.48) HRH3RAB9ALMNANPC1SMN1; SMN2
SCHEMBL27406791 0.83 CXCR4 (0.47) HRH3MCHR1LMNA
SCHEMBL1014420 0.82 HTT (0.60) RAB9ALMNANPC1SMN1; SMN2HIF1A
SCHEMBL13634176 0.82 NOS1 (0.50) HRH3RAB9ALMNANPC1SMN1; SMN2
SCHEMBL6708339 0.82 NPC1 (0.57) HRH3RAB9ANPC1SMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-10 US disclosed
US-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-10 US disclosed
US-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-10 US disclosed
EP-2272835-A1 NOVEL FIVE-MEMBERED RING COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-01-12 EP disclosed
EP-2272835-A1 NOVEL FIVE-MEMBERED RING COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-01-12 EP disclosed
WO-2009131171-A1 NOVEL FIVE-MEMBERED RING COMPOUND 大日本住友製薬株式会社 (JP) 2009-10-29 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-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND CCL11, CCR1, CCR10 HRH3 76/4885MCHR1 1997/4885RAB9A 711/4885

“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.