SCHEMBL21100304

SCHEMBL21100304

C[C@]1(CO)C[C@@H](n2ccc3c(Cl)nc(Cl)nc32)C[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 3/20 0.38
▸ ADORA3 P0DMS8 5/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ HTR2C P28335 2/20 0.32
▸ TMIGD3 P0DMS9 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90B1 P14625 1/20 0.31

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
SCHEMBL21050244 0.81 HTR2B (0.36) HTR2BADORA3ADORA1
SCHEMBL21050265 0.81 HTR2B (0.36) HTR2BADORA3ADORA1
SCHEMBL21100463 0.80 P2RY2 (0.43) —
SCHEMBL21100349 0.80 LMNA (0.47) HTR2BADORA3ADORA1HTR2CTMIGD3
Phosphoric Acid SCHEMBL21050225 0.78 HTR2B (0.30) HTR2B
Phosphoric Acid SCHEMBL21050308 0.78 HTR2B (0.30) HTR2B
SCHEMBL21050241 0.77 HTR2B (0.32) HTR2B
SCHEMBL21100284 0.73 ADORA3 (0.57) ADORA3ADORA1HSP90AA1HSP90B1
SCHEMBL2173172 0.73 LRRK2 (0.36) HTR2B
SCHEMBL21257360 0.72 ADORA3 (0.60) HTR2BADORA3ADORA1HTR2CTMIGD3

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-11040975-B2 Carbocyclic nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2021-06-22 — — US disclosed
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-06-13 — — 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-11040975-B2 Carbocyclic nucleoside reverse transcriptase inhibitors SAMHD1, POLRMT, RNGTT HTR2B 3381/4885ADORA3 712/4885ADORA1 616/4885
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS SAMHD1, POLRMT, RNGTT HTR2B 3381/4885ADORA3 712/4885ADORA1 616/4885

“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.

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