SCHEMBL18150780

SCHEMBL18150780

Brc1ccnc(OC2CCC3(CC2)OCCO3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 11/20 0.42
LOX P28300 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNB3 P54284 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNG7 P62955 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNG1 Q06432 1/20 0.39
CACNB2 Q08289 1/20 0.39
CACNA1S Q13698 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
SCHEMBL632556 0.83 PDE10A (0.44) AVPR1ALOXLOXL2HCRTR1HCRTR2
SCHEMBL16695529 0.82 LOX (0.49) AVPR1ALOXLOXL2HCRTR1HCRTR2
SCHEMBL29979964 0.82 LOX (0.49) AVPR1ALOXLOXL2HCRTR1HCRTR2
SCHEMBL3323298 0.81 HDAC6 (0.50) LOXLOXL2HCRTR1HCRTR2HDAC6
SCHEMBL25420229 0.81 AVPR1A (0.38) AVPR1ACACNB4CACNA1ACACNA1GCACNG3
SCHEMBL30481292 0.81 AVPR1A (0.38) AVPR1ACACNB4CACNA1ACACNA1GCACNG3
SCHEMBL21641432 0.80 AVPR1A (0.47) AVPR1AHCRTR1HCRTR2
SCHEMBL20266990 0.79 LOX (0.54) AVPR1ALOXLOXL2HCRTR1HCRTR2
SCHEMBL632821 0.78 AVPR1A (0.52) AVPR1ACACNB4CACNA1ACACNA1GCACNG3
SCHEMBL30001347 0.77 LOX (0.60) AVPR1ALOXLOXL2HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
EP-3288939-A1 TRICYCLIC MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-03-07 EP disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 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 (3 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-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 AVPR1A 1478/4885LOX 4170/4885LOXL2 4347/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 AVPR1A 1478/4885LOX 4170/4885LOXL2 4347/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 AVPR1A 1478/4885LOX 4170/4885LOXL2 4347/4885

“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.