SCHEMBL21274471

SCHEMBL21274471

Cc1ccccc1N1CCN(c2ccc3ccn(CCN4CC(NS(C)(=O)=O)C4)c3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 6/20 0.42
▸ HTR7 P34969 2/20 0.37
▸ ADRA1A P35348 2/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ DRD2 P14416 3/20 0.35
▸ DRD3 P35462 3/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ PARP1 P09874 1/20 0.34

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
SCHEMBL21281469 0.86 DRD2 (0.39) ADRA1AADRA1DADRA1BDRD2DRD3
SCHEMBL21274394 0.85 NPC1 (0.37) HTR7ADRA1AADRA1DADRA1BLMNA
SCHEMBL21281581 0.83 PARP1 (0.38) ADRA1AADRA1DADRA1BLMNADRD2
SCHEMBL21281500 0.82 ADRA1A (0.45) HTR7ADRA1AADRA1DADRA1BDRD2
SCHEMBL21273954 0.81 PARP1 (0.45) HTR7ADRA1AADRA1DADRA1BDRD2
SCHEMBL21274107 0.81 OPRM1 (0.45) ADRA1AADRA1DADRA1BPDE10ADRD2
SCHEMBL21281578 0.79 KDM1A (0.36) HTR7ADRA1AADRA1DADRA1BPDE10A
SCHEMBL21274036 0.79 NPC1 (0.35) HTR7ADRA1AADRA1DADRA1BPARP1
SCHEMBL21285495 0.78 PARP1 (0.42) HTR7ADRA1AADRA1DADRA1BLMNA
SCHEMBL21268787 0.78 PARP1 (0.42) HTR7ADRA1AADRA1DADRA1BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US claimed
EP-3752150-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SRL (BE) 2020-12-23 — — EP claimed
CN-112105357-A Pharmaceutically acceptable 6,5 heterobicyclic derivatives UCB生物制药有限责任公司 2020-12-18 — — CN claimed
WO-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — WO claimed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US disclosed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US disclosed
EP-3752150-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SRL (BE) 2020-12-23 — — EP disclosed
CN-112105357-A Pharmaceutically acceptable 6,5 heterobicyclic derivatives UCB生物制药有限责任公司 2020-12-18 — — CN disclosed
WO-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — 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 (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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 SMO 3478/4885HTR7 1819/4885ADRA1A 824/4885

“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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