SCHEMBL1196281

SCHEMBL1196281

O=C(OCc1ccccc1)N1CCC2(CC1)CNc1cc(Cl)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.53
BIRC2 Q13490 1/20 0.53
AVPR1A P37288 1/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
OPRK1 P41145 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
OPRD1 P41143 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GRIN2B Q13224 3/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
ENPP2 Q13822 3/20 0.44
ATXN2 Q99700 3/20 0.44
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL1196280 1.00 XIAP (0.53) XIAPBIRC2AVPR1AHDAC1HDAC8
SCHEMBL3728320 0.92 XIAP (0.51) XIAPBIRC2AVPR1AHDAC1HDAC8
SCHEMBL13189618 0.88 XIAP (0.49) XIAPBIRC2AVPR1ASMN1; SMN2NPC1
SCHEMBL3156202 0.88 HDAC1 (0.46) XIAPBIRC2HDAC1HDAC8HDAC6
SCHEMBL20955401 0.88 GRIN2B (0.47) XIAPBIRC2HDAC1HDAC8HDAC6
SCHEMBL1196005 0.87 MEN1 (0.51) AVPR1AHDAC1HDAC8HDAC6OPRK1
SCHEMBL1196006 0.87 MEN1 (0.51) AVPR1AHDAC1HDAC8HDAC6OPRK1
SCHEMBL1195566 0.87 XIAP (0.47) XIAPBIRC2AVPR1AHDAC1HDAC8
SCHEMBL1195568 0.87 XIAP (0.47) XIAPBIRC2AVPR1AHDAC1HDAC8
Hydrochloric Acid SCHEMBL8582025 0.86 MEN1 (0.50) AVPR1AHDAC1HDAC8HDAC6OPRK1

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-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2024-06-20 US disclosed
US-11866428-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2024-01-09 US disclosed
US-8431590-B2 Spiroindolines as modulators of chemokine receptors GLAXO GROUP LIMITED (GB) 2013-04-30 US disclosed
US-20110034499-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2011-02-10 US disclosed
US-7723350-B2 Spiroindolines as modulators of chemokine receptors GLAXO GROUP LIMITED (GB) 2010-05-25 US disclosed
US-20080318990-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-25 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 (4 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-20080318990-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR10, CXCR2 XIAP 2126/4885BIRC2 3514/4885AVPR1A 94/4885
US-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 XIAP 2221/4885BIRC2 2390/4885AVPR1A 60/4885
US-11866428-B2 Bicyclic heterocycle compounds and their uses in therapy H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 XIAP 2221/4885BIRC2 2390/4885AVPR1A 60/4885
US-20110034499-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR10, CXCR2 XIAP 2126/4885BIRC2 3514/4885AVPR1A 94/4885

“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.