SCHEMBL21273966

SCHEMBL21273966

Cc1ccc(N2CCN(c3ccc4ccn(CCN5CCCC5)c4n3)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.45
▸ DRD3 P35462 4/20 0.45
▸ HTR7 P34969 4/20 0.45
▸ DRD1 P21728 3/20 0.45
▸ DRD5 P21918 3/20 0.45
▸ DRD4 P21917 2/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ ADORA2A P29274 2/20 0.42
▸ DHFR P00374 1/20 0.41
▸ PARP1 P09874 3/20 0.39
▸ CNR2 P34972 1/20 0.37
▸ OGA O60502 1/20 0.36
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36

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
SCHEMBL21281443 0.87 HTR7 (0.44) DRD2DRD3HTR7HTR1ASLC6A4
SCHEMBL21274069 0.85 PARP1 (0.52) HTR7PARP1
SCHEMBL21274094 0.85 PARP1 (0.50) HTR7PARP1
SCHEMBL21281583 0.84 PARP1 (0.51) HTR7PARP1
SCHEMBL21274171 0.83 HTR7 (0.43) HTR7PARP1
SCHEMBL21273939 0.82 SLC6A2 (0.47) DRD2DRD3HTR7DRD1DRD5
SCHEMBL21273947 0.81 KCNH2 (0.54) DRD2DRD3HTR7DRD4HTR1A
SCHEMBL21281500 0.81 ADRA1A (0.45) DRD2DRD3HTR7HTR1AHTR2A
SCHEMBL21274287 0.80 KCNH2 (0.45) DRD2DRD3HTR7DRD4HTR1A
SCHEMBL21268791 0.79 HTR3E (0.43) HTR7HTR1AHTR2AHTR2CSLC6A4

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 DRD2 4651/4885DRD3 4673/4885HTR7 1819/4885

“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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