SCHEMBL1502960

SCHEMBL1502960

O=C1CCCC12CCCNC2

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ MAPKAPK2 P49137 3/20 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
SCHEMBL25330146 0.91 CRBN (0.47) CRBNSIGMAR1HTR2AMAPKAPK2
SCHEMBL29749828 0.91 CRBN (0.52) CRBN
SCHEMBL29749879 0.85 CRBN (0.50) CRBN
SCHEMBL4986868 0.84 CRBN (0.44) CRBN
SCHEMBL26686283 0.84 — —
Hydrochloric Acid SCHEMBL19817283 0.83 CRBN (0.42) CRBN
SCHEMBL13144498 0.79 — —
Hydrochloric Acid SCHEMBL30036878 0.77 CRBN (0.45) CRBN
SCHEMBL31566947 0.77 — —
SCHEMBL2169285 0.77 CRBN (0.41) CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011034741-A1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-24 — — WO claimed
US-20020004601-A1 Spiro[cyclopent[b]indole-piperidines] HOECHST MARION ROUSSEL, INC. 2002-01-10 — — US claimed
EP-1161419-A1 SPIROCYCLIC KETONES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2001-12-12 — — EP claimed
WO-2000047562-A1 SPIROCYCLIC KETONES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2000-08-17 — — WO claimed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 — — US disclosed
US-20170260185-A1 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) CHRONOS THERAPEUTICS LIMITED (GB) 2017-09-14 — — US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 — — US disclosed
US-20130109711-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2013-05-02 — — US disclosed
EP-1161419-A1 SPIROCYCLIC KETONES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2001-12-12 — — EP disclosed
WO-2000047562-A1 SPIROCYCLIC KETONES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2000-08-17 — — WO 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 (5 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-20130109711-A1 NOVEL COMPOUNDS TRPV2, CACNA1C, CACNA1B CRBN 2799/4885SIGMAR1 484/4885HTR2A 546/4885
US-20170260185-A1 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) SLC6A3, SLC6A4, SLC6A2 CRBN 1424/4885SIGMAR1 971/4885HTR2A 24/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 CRBN 4298/4885SIGMAR1 3385/4885HTR2A 2838/4885
US-20170253615-A1 Spirocyclic derivatives SLC6A3, SLC10A1, ABCB11 CRBN 2819/4885SIGMAR1 508/4885HTR2A 672/4885
US-20020004601-A1 Spiro[cyclopent[b]indole-piperidines] CAMK2B, GRIN2B, HTR2B CRBN 628/4885SIGMAR1 1217/4885HTR2A 26/4885

“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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