SCHEMBL5017486

SCHEMBL5017486

c1ccc2c(c1)OCCC2NC1CCOc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
HTR2A P28223 1/20 0.43
LRRK2 Q5S007 1/20 0.42
LMNA P02545 2/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
TRPV1 Q8NER1 4/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
SSTR4 P31391 1/20 0.39
BRD4 O60885 2/20 0.38
CREBBP Q92793 2/20 0.38
MAPK1 P28482 1/20 0.38
MAP3K14 Q99558 1/20 0.38

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
SCHEMBL6431777 1.00 ITGB2 (0.46) ITGB2ICAM1ITGALHTR2ALRRK2
SCHEMBL29858433 0.84 PDPK1 (0.52) ITGB2ICAM1ITGALHTR2A
SCHEMBL7500388 0.84 PDPK1 (0.52) ITGB2ICAM1ITGALHTR2A
SCHEMBL18215053 0.84 ITGB2 (0.43) ITGB2ICAM1ITGALHTR2ALRRK2
SCHEMBL2790683 0.84 ITGB2 (0.43) ITGB2ICAM1ITGALHTR2ALRRK2
SCHEMBL22997177 0.84 PDPK1 (0.52) ITGB2ICAM1ITGALHTR2A
SCHEMBL130896 0.84 PDPK1 (0.52) ITGB2ICAM1ITGALHTR2A
SCHEMBL12162969 0.84 ITGB2 (0.43) ITGB2ICAM1ITGALHTR2ALRRK2
SCHEMBL14880984 0.81 KDM1A (0.61) HTR2A
SCHEMBL4226634 0.80 TRPV1 (0.54) TRPV1CNR1CNR2SSTR4BRD4

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
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US disclosed
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects AMGEN INC. 2005-01-20 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-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE ITGB2 3636/4885ICAM1 174/4885ITGAL 2218/4885

“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.