SCHEMBL1802276

SCHEMBL1802276

O=C(CC1CCNCC1)NO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.54
GABRA5 P31644 3/20 0.45
GABRB2 P47870 3/20 0.45
SLC6A1 P30531 2/20 0.45
SLC6A12 P48065 2/20 0.45
SLC6A11 P48066 2/20 0.45
SLC6A13 Q9NSD5 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRR1 P24046 1/20 0.45
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
MAOB P27338 1/20 0.41
CHRM1 P11229 1/20 0.40
ANPEP P15144 1/20 0.40
ERAP2 Q6P179 1/20 0.40
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL6629104 0.88 EPHX1 (0.45) EPHX1GABRA5GABRB2SLC6A1SLC6A12
Trifluoroacetic Acid SCHEMBL6626871 0.88 EPHX1 (0.45) EPHX1GABRA5GABRB2SLC6A1SLC6A12
Trifluoroacetic Acid SCHEMBL6632396 0.88 EPHX1 (0.45) EPHX1GABRA5GABRB2SLC6A1SLC6A12
SCHEMBL8018459 0.81 EPHX1 (0.53) EPHX1GABRA5GABRB2SLC6A1SLC6A12
SCHEMBL7450596 0.81 EPHX1 (0.53) EPHX1GABRA5GABRB2SLC6A1SLC6A12
SCHEMBL13043831 0.79 KMT2A (0.59) EPHX1KMT2AHPGDNPC1RAB9A
SCHEMBL13484250 0.79 EPHX1 (0.60) EPHX1GABRA5GABRB2SLC6A1SLC6A12
SCHEMBL5645399 0.78 EPHX1 (0.50) EPHX1GABRA5GABRB2SLC6A1SLC6A12
SCHEMBL24392552 0.77
SCHEMBL4179001 0.77 KMT2A (0.63) EPHX1KMT2AHPGDNPC1RAB9A

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-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US claimed
EP-1461313-A1 HUMAN ADAM-10 INHIBITORS Exelixis, Inc. (US) 2004-09-29 EP claimed
WO-2003051825-A1 HUMAN ADAM-10 INHIBITORS EXELIXIS, INC. (US) 2003-06-26 WO claimed
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed
EP-1461313-A1 HUMAN ADAM-10 INHIBITORS Exelixis, Inc. (US) 2004-09-29 EP disclosed
WO-2003051825-A1 HUMAN ADAM-10 INHIBITORS EXELIXIS, INC. (US) 2003-06-26 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-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 EPHX1 485/4885GABRA5 2269/4885GABRB2 2676/4885

“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.