SCHEMBL21273954

SCHEMBL21273954

Cc1ccccc1N1CCN(c2ccc3ccn(CCN4CCN(C)CC4)c3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.45
▸ ADRA1B P35368 4/20 0.44
▸ ADRA1A P35348 4/20 0.44
▸ ADRA1D P25100 3/20 0.44
▸ HTR3E A5X5Y0 2/20 0.43
▸ HTR3B O95264 2/20 0.43
▸ HTR3A P46098 2/20 0.43
▸ HTR3D Q70Z44 2/20 0.43
▸ HTR3C Q8WXA8 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ HTR7 P34969 3/20 0.42
▸ HTR1A P08908 3/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ DRD3 P35462 2/20 0.40
▸ DRD2 P14416 1/20 0.40

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
SCHEMBL21281500 0.92 ADRA1A (0.45) PARP1ADRA1BADRA1AADRA1DHTR7
SCHEMBL21268787 0.85 PARP1 (0.42) PARP1ADRA1BADRA1AADRA1DHTR3E
SCHEMBL21285495 0.85 PARP1 (0.42) PARP1ADRA1BADRA1AADRA1DHTR3E
SCHEMBL21274394 0.84 NPC1 (0.37) PARP1ADRA1BADRA1AADRA1DHTR7
SCHEMBL21285605 0.84 ADRA1B (0.38) PARP1ADRA1BADRA1AADRA1DALDH1A1
SCHEMBL21274069 0.83 PARP1 (0.52) PARP1HTR3EHTR3BHTR3AHTR3D
SCHEMBL21274397 0.83 HTR1A (0.37) PARP1ADRA1BADRA1AADRA1DHTR7
SCHEMBL21274036 0.82 NPC1 (0.35) PARP1ADRA1BADRA1AADRA1DHTR7
SCHEMBL21281578 0.82 KDM1A (0.36) PARP1ADRA1BADRA1AADRA1DHRH3
SCHEMBL21281585 0.80 PARP1 (0.44) PARP1ADRA1BADRA1AADRA1DHTR3E

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 PARP1 158/4885ADRA1B 711/4885ADRA1A 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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