SCHEMBL16627076

SCHEMBL16627076

CC(C)(C)N1CCCC2(CNC2)C1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30

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
SCHEMBL12458516 0.88 TSHR (0.35) TSHR
SCHEMBL17886886 0.87 CYP3A4 (0.43) TSHR
SCHEMBL17886946 0.87 TSHR (0.45) TSHR
SCHEMBL10200642 0.83 GRM5 (0.36) TSHR
SCHEMBL12312781 0.83 HSD11B1 (0.33) TSHR
SCHEMBL13227074 0.83 GRM5 (0.36) TSHR
SCHEMBL26247865 0.83 GRM5 (0.36) TSHR
SCHEMBL15781124 0.83 HSD11B1 (0.33) TSHR
SCHEMBL16624955 0.83 CRHBP (0.33)
SCHEMBL14768740 0.82 CYP2D6 (0.44) TSHR

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
US-11760764-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2023-09-19 US disclosed
US-11760764-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2023-09-19 US disclosed
US-11679108-B2 Aromatic heterocyclic compound, and pharmaceutical composition and use thereof GUANGZHOU HENOVCOM BIOSCIENCE CO., LTD. (CN) 2023-06-20 US disclosed
US-9493486-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHES INC. (US) 2016-11-15 US disclosed
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2015-04-09 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-11760764-B2 Methods and compositions for targeting PD-L1 CD274, PDCD1LG2, PDCD1 TSHR 2323/4885
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE DAPK2, DAPK1, IDH3A TSHR 2616/4885
US-11679108-B2 Aromatic heterocyclic compound, and pharmaceutical composition and use thereof ENPP2, ADRM1, TPX2 TSHR 2927/4885

“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.