SCHEMBL21274474

SCHEMBL21274474

Oc1ccc(N2CCN(c3ccc4ccn(CCN5CCCC5)c4n3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.44
▸ PARP1 P09874 3/20 0.41
▸ GAA P10253 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HRH3 Q9Y5N1 3/20 0.37
▸ ESRRG P62508 2/20 0.37
▸ DRD4 P21917 4/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ DRD2 P14416 3/20 0.36
▸ DRD3 P35462 3/20 0.36
▸ PIK3CA P42336 2/20 0.35
▸ MTOR P42345 2/20 0.35
▸ NPC1 O15118 1/20 0.35

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 0.88 HTR7 (0.44) PARP1MAPTHRH3DRD2DRD3
SCHEMBL21274498 0.88 HTR7 (0.43) PARP1GAAMAPTHRH3DRD4
SCHEMBL21274287 0.88 KCNH2 (0.45) PARP1ALDH1A1MAPTDRD4DRD2
SCHEMBL21274001 0.87 CHKA (0.43) PARP1MAPTHRH3DRD2PIK3CA
SCHEMBL21285667 0.86 HTR7 (0.46) PARP1ALDH1A1HRH3DRD2
SCHEMBL21274094 0.86 PARP1 (0.50) PARP1
SCHEMBL21274105 0.85 KDM4E (0.40) PARP1HRH3
SCHEMBL21274193 0.85 DRD2 (0.48) PIM1ALDH1A1MAPTHRH3DRD2
SCHEMBL21281583 0.85 PARP1 (0.51) PARP1HRH3
SCHEMBL21274069 0.84 PARP1 (0.52) PARP1ALDH1A1HRH3

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
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

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 PIM1 3878/4885PARP1 158/4885GAA 96/4885

“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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