SCHEMBL21274178

SCHEMBL21274178

Cc1ccccc1N1CCN(c2ccc3ccn(CCN4CCCC5CN(C)CC54)c3n2)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ CXCR4 P61073 5/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ TSHR P16473 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 0.95 PARP1 (0.35) SLC18A3KMT2APARP1HTR1AADRA1D
SCHEMBL21274106 0.90 PARP1 (0.35) SLC18A3KMT2APARP1SMN1; SMN2HTR1A
SCHEMBL21274100 0.87 HRH3 (0.42) SLC18A3
SCHEMBL21268806 0.87 HRH3 (0.42) SLC18A3
SCHEMBL21281450 0.87 HRH3 (0.42) SLC18A3
SCHEMBL21274058 0.85 SLC18A3 (0.36) SLC18A3KMT2APARP1ADRA1DADRA1A
SCHEMBL21274472 0.81 VEGFA (0.37) SLC18A3KMT2ACXCR4SMN1; SMN2HTR2A
SCHEMBL21281500 0.79 ADRA1A (0.45) PARP1CHRM2HTR1AADRA2AADRA2B
SCHEMBL21273954 0.78 PARP1 (0.45) PARP1CHRM2HTR1AADRA2AADRA2B
SCHEMBL21268787 0.76 PARP1 (0.42) SLC18A3KMT2APARP1SMN1; SMN2HTR1A

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 SLC18A3 3542/4885KMT2A 4561/4885CXCR4 145/4885

“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.

Send feedback