SCHEMBL17859472

SCHEMBL17859472

Cc1nc2ccc(CN3CCOCC3)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 3/20 0.61
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 2/20 0.49
CA2 P00918 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
PDE2A O00408 1/20 0.43
PDE6D O43924 1/20 0.43
PDE6A P16499 1/20 0.43
PDE6G P18545 1/20 0.43
PDE6B P35913 1/20 0.43

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
SCHEMBL21604586 0.87 ILK (0.59) ILKSMN1; SMN2HRH3BCHEACHE
SCHEMBL17747833 0.84 RAB9A (0.61) ILKSMN1; SMN2CA2
SCHEMBL3468695 0.78 HRH3 (0.56) ILKSMN1; SMN2HTTHRH3HPGD
SCHEMBL687334 0.78 ILK (0.77) ILKSMN1; SMN2HTTCA2
SCHEMBL12200473 0.76 SMN1; SMN2 (0.70) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL3468573 0.75 HRH3 (0.82) ILKSMN1; SMN2HTTHRH3KDM4E
SCHEMBL34471642 0.75 HRH3 (0.49) ILKSMN1; SMN2HTTCA2HRH3
SCHEMBL31428715 0.75 HRH3 (0.49) ILKSMN1; SMN2HTTCA2HRH3
SCHEMBL686485 0.74 ILK (0.59) ILKSMN1; SMN2HTTCA2HRH3
SCHEMBL10280168 0.73 FGFR1 (0.58) ILKHRH3KDM4EALDH1A1HPGD

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
EP-3233850-B1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2019-04-03 EP disclosed
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 US disclosed
WO-2016096115-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-06-23 WO disclosed
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 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-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H3, NR1H2 ILK 4749/4885SMN1; SMN2 4830/4885HTT 757/4885

“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.