SCHEMBL1014002

SCHEMBL1014002

O=C(c1ccc(CN2CCOCC2)cc1)N1CCOCC1

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.86
HRH3 Q9Y5N1 8/20 0.81
GAA P10253 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.67
PHGDH O43175 1/20 0.66
USP2 O75604 1/20 0.62
TSHR P16473 1/20 0.62
AKR1C3 P42330 2/20 0.60
HIF1A Q16665 1/20 0.58
EPAS1 Q99814 1/20 0.58

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
SCHEMBL3456205 0.92 HPGD (1.00) HPGDHRH3GAASMN1; SMN2USP2
SCHEMBL1450838 0.91 HRH3 (0.78) HPGDHRH3GAASMN1; SMN2USP2
SCHEMBL13636330 0.90 HRH3 (1.00) HPGDHRH3GAASMN1; SMN2USP2
SCHEMBL522513 0.90 HPGD (0.75) HPGDHRH3GAASMN1; SMN2PHGDH
SCHEMBL13211156 0.89 HPGD (0.73) HPGDHRH3GAASMN1; SMN2USP2
SCHEMBL10184001 0.89 HRH3 (0.78) HPGDHRH3GAASMN1; SMN2USP2
Hydrochloric Acid SCHEMBL1177194 0.89 HRH3 (0.97) HPGDHRH3GAASMN1; SMN2USP2
SCHEMBL521532 0.86 HRH3 (1.00) HPGDHRH3
Bavisant SCHEMBL522603 0.86 HRH3 (1.00) HPGDHRH3GAASMN1; SMN2USP2
SCHEMBL3405905 0.85 PHGDH (0.68) HPGDHRH3SMN1; SMN2PHGDHTSHR

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 4 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

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 HPGD 2061/4885HRH3 76/4885GAA 3946/4885

“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.