SCHEMBL6589968

SCHEMBL6589968

c1ccc2c(c1)CC(NC1Cc3ccccc3C1)C2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
GRIN2B Q13224 5/20 0.48
IDO1 P14902 3/20 0.47
SIGMAR1 Q99720 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
MAPT P10636 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
GRM7 Q14831 2/20 0.41

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
SCHEMBL433595 0.92 GRIN2B (0.52) CA1CA2GRIN2BIDO1SIGMAR1
SCHEMBL1019088 0.82 KDM1A (0.57) GRIN2BMAOAMAOB
SCHEMBL20061143 0.81 CA1 (0.42) CA1CA2GRIN2BIDO1SIGMAR1
SCHEMBL20061120 0.81 CA1 (0.42) CA1CA2GRIN2BIDO1SIGMAR1
SCHEMBL459537 0.79 GRIN2B (0.65) CA1CA2GRIN2BSIGMAR1MTNR1A
SCHEMBL714537 0.78 SIGMAR1 (0.53) CA1CA2GRIN2BIDO1SIGMAR1
SCHEMBL6904134 0.78 CA1 (0.54) CA1CA2GRIN2BIDO1SIGMAR1
SCHEMBL3531863 0.78 GRIN2B (0.50) CA1CA2GRIN2BIDO1SIGMAR1
SCHEMBL1488586 0.78 CA1 (0.48) CA1CA2GRIN2BIDO1SIGMAR1
SCHEMBL1691712 0.78 CA1 (0.54) CA1CA2GRIN2BIDO1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373191-B1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2013-06-05 EP claimed
US-10035824-B2 Oral peptide inhibitors of interleukin-23 receptor and their use to treat inflammatory bowel diseases PROTAGONIST THERAPEUTICS, INC. (US) 2018-07-31 US disclosed
US-20180079782-A1 ORAL PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY BOWEL DISEASES PROTAGONIST THERAPEUTICS, INC. 2018-03-22 US disclosed
EP-0861837-B1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2004-04-28 EP disclosed
EP-0861837-A1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-09-02 EP 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 (2 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-20180079782-A1 ORAL PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY BOWEL DISEASES IL23R, IL1RN, VIP CA1 2973/4885CA2 3337/4885GRIN2B 3606/4885
US-10035824-B2 Oral peptide inhibitors of interleukin-23 receptor and their use to treat inflammatory bowel diseases IL23R, IL1RN, VIP CA1 2811/4885CA2 3614/4885GRIN2B 3502/4885

“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.