SCHEMBL21273947

SCHEMBL21273947

Cc1cccc(N2CCN(c3ccc4ccn(CCN5CCCC5)c4n3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.54
▸ HTR7 P34969 2/20 0.43
▸ DRD3 P35462 2/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ HRH1 P35367 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ DHFR P00374 2/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DPP4 P27487 1/20 0.39

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
SCHEMBL21281460 0.87 HTR7 (0.45) KCNH2HTR7DRD2
SCHEMBL21281459 0.87 DRD2 (0.51) KCNH2HTR7DRD3DRD2HRH1
SCHEMBL21274049 0.87 DRD2 (0.50) KCNH2HTR7DRD3DRD2HRH3
SCHEMBL21281443 0.86 HTR7 (0.44) KCNH2HTR7DRD3DRD2HRH3
SCHEMBL21274287 0.86 KCNH2 (0.45) KCNH2HTR7DRD3DRD2HTR1A
SCHEMBL21268739 0.85 DRD2 (0.54) KCNH2DRD2
SCHEMBL21285669 0.84 SIGMAR1 (0.46) HTR7DRD3HRH3DRD4
SCHEMBL21273950 0.84 DRD2 (0.51) KCNH2DRD3DRD2DHFRDRD4
SCHEMBL21274069 0.82 PARP1 (0.52) HTR7HRH3
SCHEMBL21274094 0.82 PARP1 (0.50) HTR7

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 KCNH2 4098/4885HTR7 1819/4885DRD3 4673/4885

“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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