SCHEMBL16163229

SCHEMBL16163229

CC(C)CCn1c(CN2C(=O)C3(CCCC3)c3ccccc32)nc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL16163321 0.98 TSHR (0.51) TSHRMAPK1
SCHEMBL16163238 0.96 TSHR (0.53) TSHRMAPK1
SCHEMBL16163176 0.88
SCHEMBL16163160 0.86
SCHEMBL7740569 0.84 TSHR (0.53) TSHRMAPK1
SCHEMBL16163287 0.83
SCHEMBL16163285 0.83 TSHR (0.49) TSHRMAPK1
SCHEMBL16163364 0.80 TSHR (0.51) TSHRMAPK1
SCHEMBL14941421 0.80 TSHR (0.51) TSHRMAPK1
SCHEMBL7745813 0.80 ALDH1A1 (0.54) TSHRMAPK1

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-9809575-B2 Pharmaceutical compounds ReViral Limited (GB) 2017-11-07 US claimed
EP-2776416-B1 PHARMACEUTICAL COMPOUNDS RE VIRAL LTD (GB) 2016-01-13 EP claimed
US-20140308282-A1 PHARMACEUTICAL COMPOUNDS re: Viral Ltd (GB) 2014-10-16 US claimed
US-9809575-B2 Pharmaceutical compounds ReViral Limited (GB) 2017-11-07 US disclosed
EP-2776416-B1 PHARMACEUTICAL COMPOUNDS RE VIRAL LTD (GB) 2016-01-13 EP disclosed
US-20140308282-A1 PHARMACEUTICAL COMPOUNDS re: Viral Ltd (GB) 2014-10-16 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 (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-20140308282-A1 PHARMACEUTICAL COMPOUNDS CYP2S1, H1-2, CBR1 TSHR 2037/4885MAPK1 1885/4885

“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.