SCHEMBL21274526

SCHEMBL21274526

Cc1cccnc1N1CCN(c2ccc3ccn(CCN4CCCC4)c3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 1/20 0.40
▸ HTR1A P08908 4/20 0.38
▸ HTR2A P28223 4/20 0.38
▸ DRD2 P14416 3/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ PARP1 P09874 3/20 0.36
▸ HTR7 P34969 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL21274038 0.87 DRD2 (0.45) DRD4HTR1AHTR2ADRD2HTR7
SCHEMBL21281451 0.85 SIGMAR1 (0.37) HTR1AHTR2ADRD2SIRT6P2RX7
SCHEMBL21268729 0.85 DRD2 (0.50) DRD4HTR1AHTR2ADRD2HTR7
SCHEMBL21281500 0.84 ADRA1A (0.45) HTR1AHTR2ADRD2PARP1HTR7
SCHEMBL21273939 0.83 SLC6A2 (0.47) DRD4HTR1AHTR2ADRD2HTR7
SCHEMBL21274087 0.82 SORD (0.51) HTR1AHTR2ADRD2
SCHEMBL21274069 0.81 PARP1 (0.52) PARP1HTR7
SCHEMBL21274094 0.81 PARP1 (0.50) PARP1HTR7
SCHEMBL21273966 0.80 DRD2 (0.45) DRD4HTR1AHTR2ADRD2CNR2
SCHEMBL21281583 0.80 PARP1 (0.51) PARP1HTR7

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 11 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
WO-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — WO disclosed
EP-3527209-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SPRL (BE) 2019-08-21 — — EP 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 DRD4 4697/4885HTR1A 2139/4885HTR2A 2401/4885

“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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