SCHEMBL21281443

SCHEMBL21281443

Cc1ccc(N2CCN(c3ccc4ccn(CCN5CCCC5)c4n3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.44
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PARP1 P09874 3/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ KDM5B Q9UGL1 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ HTR1A P08908 1/20 0.36
▸ SLC6A4 P31645 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
SCHEMBL21285667 0.88 HTR7 (0.46) HTR7PARP1KCNH2DRD2HRH3
SCHEMBL21274474 0.88 PIM1 (0.44) MAPTPARP1DRD2DRD3HRH3
SCHEMBL21274498 0.88 HTR7 (0.43) HTR7MAPTNPSR1PARP1DRD2
SCHEMBL21274287 0.88 KCNH2 (0.45) HTR7MAPTPARP1KCNH2DRD2
SCHEMBL21274193 0.87 DRD2 (0.48) HTR7MAPTDRD2HRH3HTR1A
SCHEMBL21273966 0.87 DRD2 (0.45) HTR7PARP1DRD2DRD3HTR1A
SCHEMBL21274001 0.87 CHKA (0.43) MAPTPARP1DRD2HRH3
SCHEMBL21273947 0.86 KCNH2 (0.54) HTR7KCNH2DRD2DRD3HRH3
SCHEMBL21274069 0.86 PARP1 (0.52) HTR7PARP1HRH3
SCHEMBL21274094 0.86 PARP1 (0.50) HTR7PARP1

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 7 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
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
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
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
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 HTR7 1819/4885MAPT 2459/4885NPSR1 1764/4885

“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