SCHEMBL21274058

SCHEMBL21274058

Cc1ccccc1N1CCN(c2ccc3ccn(CCN4CCC5CC54)c3n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 1/20 0.36
▸ PARP1 P09874 1/20 0.34
▸ ADRA1B P35368 2/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ AR P10275 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MCOLN3 Q8TDD5 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ HTR3E A5X5Y0 1/20 0.32

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
SCHEMBL21281579 0.89 PARP1 (0.35) SLC18A3PARP1ADRA1BADRA1DADRA1A
SCHEMBL21274106 0.89 PARP1 (0.35) SLC18A3PARP1ADRA1BADRA1DADRA1A
SCHEMBL21268806 0.86 HRH3 (0.42) SLC18A3KCNH2HRH3
SCHEMBL21281450 0.86 HRH3 (0.42) SLC18A3KCNH2HRH3
SCHEMBL21274100 0.86 HRH3 (0.42) SLC18A3KCNH2HRH3
SCHEMBL21274178 0.85 SLC18A3 (0.35) SLC18A3PARP1ADRA1DADRA1AKMT2A
SCHEMBL21281500 0.81 ADRA1A (0.45) PARP1ADRA1BADRA1DADRA1AAR
SCHEMBL21268787 0.81 PARP1 (0.42) SLC18A3PARP1ADRA1BADRA1DADRA1A
SCHEMBL21285495 0.81 PARP1 (0.42) PARP1ADRA1BADRA1DADRA1AKMT2A
SCHEMBL21273954 0.80 PARP1 (0.45) PARP1ADRA1BADRA1DADRA1AOPRL1

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
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
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 SLC18A3 3542/4885PARP1 158/4885ADRA1B 711/4885

“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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