SCHEMBL5481499

SCHEMBL5481499

[c]1ccc(CN2CCOCC2)s1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
HRH3 Q9Y5N1 2/20 0.47
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
CXCR4 P61073 1/20 0.44
CYP2A13 Q16696 8/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
NCF1 P14598 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL28802672 0.85 HRH3 (0.43) HTTHRH3MEN1ALDH1A1KMT2A
SCHEMBL3070626 0.80 KDM4E (0.51) MEN1ALDH1A1KMT2ASMN1; SMN2NCF1
SCHEMBL3140167 0.76 HRH3 (0.63) HTTHRH3MEN1ALDH1A1KMT2A
SCHEMBL8215515 0.73 AR (0.43) HTTALOX15HSD17B10MEN1ALDH1A1
SCHEMBL3145262 0.72 NCF1 (0.52) HTTHRH3ALDH1A1NCF1HPGD
SCHEMBL14896784 0.71 HTT (0.52) HTTHRH3CYP2C9ALOX15HSD17B10
SCHEMBL60705 0.69 HRH3 (0.66) HRH3CYP2C9ALOX15HSD17B10MEN1
SCHEMBL2357269 0.69 HTT (0.46) HTTHRH3CYP2C9ALOX15HSD17B10
SCHEMBL15467001 0.69 HRH3 (0.87) HRH3CYP2C9ALOX15HSD17B10MEN1
SCHEMBL6277227 0.69 OPRL1 (0.47) CYP2C9HSD17B10MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106661019-A Indolizine derivatives as phoshoinositide 3-kinases inhibitors 奇斯药制品公司 2017-05-10 CN disclosed
US-20070208015-A1 5-Morpholinylmethylthiophenyl Pharmaceutical Compounds As P38 MAP Kinase Modulators ASTEX THERAPEUTICS, LTD. (UK) 2007-09-06 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 (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-20070208015-A1 5-Morpholinylmethylthiophenyl Pharmaceutical Compounds As P38 MAP Kinase Modulators MAPK1, MAPK3, MAPK10 HTT 2328/4885HRH3 944/4885CYP2C9 911/4885

“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.