SCHEMBL21274287

SCHEMBL21274287

c1ccc(N2CCN(c3ccc4ccn(CCN5CCCC5)c4n3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.45
▸ DRD2 P14416 5/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ SIGMAR1 Q99720 3/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ PARP1 P09874 2/20 0.40
▸ HTR1A P08908 2/20 0.40
▸ SORD Q00796 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL21274001 0.89 CHKA (0.43) DRD2PARP1MAPT
SCHEMBL21285669 0.88 SIGMAR1 (0.46) DRD3DRD4SIGMAR1HTR7HTR6
SCHEMBL21274094 0.88 PARP1 (0.50) PARP1HTR7
SCHEMBL21281443 0.88 HTR7 (0.44) KCNH2DRD2DRD3PARP1HTR1A
SCHEMBL21274498 0.88 HTR7 (0.43) DRD2DRD3DRD4SIGMAR1PARP1
SCHEMBL21274474 0.88 PIM1 (0.44) DRD2DRD3DRD4PARP1ALDH1A1
SCHEMBL21274350 0.87 MAPT (0.46) DRD2DRD3DRD4HTR7MAPT
SCHEMBL21281496 0.87 CASP1 (0.51) DRD4SIGMAR1HTR7ALDH1A1MAPT
SCHEMBL21281583 0.87 PARP1 (0.51) PARP1HTR7
SCHEMBL21274069 0.86 PARP1 (0.52) PARP1HTR7ALDH1A1

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 KCNH2 4098/4885DRD2 4651/4885DRD3 4673/4885

“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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