SCHEMBL1666635

SCHEMBL1666635

COc1cccc(OC)c1Cn1cc(-c2cc(C)cs2)nc1N

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 10/20 0.40
APLNR P35414 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
BACE1 P56817 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LTA4H P09960 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL1665625 0.82 APLNR (0.47) TLR8APLNRALDH1A1KMT2AHSD17B10
SCHEMBL5055173 0.78 TLR8 (0.46) TLR8ALDH1A1
Hydrochloric Acid SCHEMBL1668499 0.77 TLR8 (0.48) TLR8
Hydrochloric Acid SCHEMBL1666204 0.76 TLR8 (0.54) TLR8ALDH1A1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL1666051 0.76 TLR8 (0.66) TLR8
SCHEMBL1666058 0.76 APLNR (0.43) TLR8APLNRALDH1A1KMT2AHSD17B10
SCHEMBL1666005 0.75 TLR8 (0.54) TLR8BACE1
SCHEMBL1666621 0.71 TLR8 (0.45) TLR8ALDH1A1GAALTA4H
Hydrochloric Acid SCHEMBL1666639 0.70 TLR8 (0.45) TLR8
SCHEMBL1666627 0.70 TLR8 (0.41) TLR8

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-8921406-B2 5-ring heteroaromatic compounds and their use as binding partners for 5-HT5 receptors AbbVie Deutschland GmbH & Co. KG (DE) 2014-12-30 US claimed
US-20150183770-A1 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2015-07-02 US disclosed
US-8921406-B2 5-ring heteroaromatic compounds and their use as binding partners for 5-HT5 receptors AbbVie Deutschland GmbH & Co. KG (DE) 2014-12-30 US disclosed
EP-1917251-B1 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO KG (DE) 2013-04-03 EP disclosed
US-20110207788-A1 5-Ring Heteroaromatic compounds and their use as binding partners for 5-ht5 receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-08-25 US disclosed
EP-2308852-A1 5-ring heteroaromatic compounds and their use as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-04-13 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-20150183770-A1 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR3A, HTR6 TLR8 3449/4885APLNR 1065/4885GRIN1 110/4885
US-20110207788-A1 5-Ring Heteroaromatic compounds and their use as binding partners for 5-ht5 receptors HTR5A, HTR3A, HTR6 TLR8 3449/4885APLNR 1065/4885GRIN1 110/4885

“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.