SCHEMBL21273950

SCHEMBL21273950

N#Cc1cccc(N2CCN(c3ccc4ccn(CCN5CCCC5)c4n3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.51
▸ DRD3 P35462 7/20 0.49
▸ C1S P09871 1/20 0.40
▸ KCNH2 Q12809 2/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ SLC2A1 P11166 1/20 0.38
▸ SLC2A2 P11168 1/20 0.38
▸ SLC2A3 P11169 1/20 0.38
▸ DHFR P00374 2/20 0.38
▸ PHGDH O43175 1/20 0.37
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 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
SCHEMBL21274105 0.87 KDM4E (0.40) —
SCHEMBL21273947 0.84 KCNH2 (0.54) DRD2DRD3KCNH2DRD4DHFR
SCHEMBL21274049 0.84 DRD2 (0.50) DRD2DRD3KCNH2
SCHEMBL21274287 0.84 KCNH2 (0.45) DRD2DRD3KCNH2DRD4
SCHEMBL21269076 0.83 PARP1 (0.37) KCNH2
SCHEMBL21281459 0.82 DRD2 (0.51) DRD2DRD3KCNH2DRD4
SCHEMBL21281460 0.82 HTR7 (0.45) DRD2KCNH2
SCHEMBL21274171 0.82 HTR7 (0.43) —
SCHEMBL21285669 0.82 SIGMAR1 (0.46) DRD3DRD4
SCHEMBL21274094 0.80 PARP1 (0.50) —

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 DRD2 4651/4885DRD3 4673/4885C1S 3227/4885

“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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