SCHEMBL23032028

SCHEMBL23032028

CC(C)(C)C1c2ccccc2SCC2CCCCC21

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 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
SCHEMBL21400400 0.80 ALDH1A1 (0.33) HCRTR1
SCHEMBL21400548 0.77 HCRTR1 (0.32) HCRTR1
SCHEMBL22413693 0.76
SCHEMBL6820708 0.72 SLC6A2 (0.35)
SCHEMBL24119478 0.71 PARP1 (0.33)
SCHEMBL23031963 0.71 SSTR4 (0.38) HCRTR1
SCHEMBL24119477 0.70 S100A4 (0.35)
SCHEMBL24119297 0.69 PTGS2 (0.33)
SCHEMBL24119292 0.68 HTR2A (0.35)
SCHEMBL24119295 0.68 PTGS2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395231-A1 RECEPTOR INHIBITORS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-12-23 US disclosed
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-02-25 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 (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-20210395231-A1 RECEPTOR INHIBITORS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USE THEREOF TACR1, TACR2, GPBAR1 HCRTR1 440/4885
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF TACR1, TACR2, GPBAR1 HCRTR1 459/4885

“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.