SCHEMBL21273958

SCHEMBL21273958

Cc1ccccc1N1CCN(c2ccc3ccn(CCN4CCC(c5ccccn5)C4)c3n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ AVPR1A P37288 1/20 0.38
▸ DRD4 P21917 9/20 0.36
▸ CXCR4 P61073 4/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MAP4K4 O95819 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ PDCD1LG2 Q9BQ51 1/20 0.35
▸ CD274 Q9NZQ7 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
SCHEMBL21274036 0.83 NPC1 (0.35) ADRA1AOPRL1KCNH2ADRA1DADRA1B
SCHEMBL21281578 0.83 KDM1A (0.36) ADRA1ADRD3OPRL1ADRA1DADRA1B
SCHEMBL21281462 0.81 CARM1 (0.43) —
SCHEMBL21274145 0.81 KCNH2 (0.34) DRD2ADRA1ADRD3OPRL1KCNH2
SCHEMBL21281500 0.81 ADRA1A (0.45) DRD2ADRA1ADRD3ADRA1DADRA1B
SCHEMBL21273954 0.80 PARP1 (0.45) DRD2ADRA1ADRD3OPRL1ADRA1D
SCHEMBL21274394 0.79 NPC1 (0.37) DRD2ADRA1ADRD3DRD4ADRA1D
SCHEMBL21274471 0.76 SMO (0.42) DRD2ADRA1ADRD3ADRA1DADRA1B
SCHEMBL21268787 0.76 PARP1 (0.42) DRD2ADRA1ADRD3ADRA1DADRA1B
SCHEMBL21285495 0.76 PARP1 (0.42) DRD2ADRA1ADRD3ADRA1DADRA1B

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 10 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
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 DRD2 4651/4885ADRA1A 824/4885DRD3 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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