SCHEMBL21274107

SCHEMBL21274107

Cc1ccccc1N1CCN(c2ccc3ccn(CCN4CC(C(=O)N(C)C)C4)c3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.45
▸ OPRL1 P41146 5/20 0.45
▸ PARP1 P09874 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ ADRA1A P35348 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ CYP46A1 Q9Y6A2 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL21281581 0.87 PARP1 (0.38) OPRM1OPRL1PARP1TSHRADRA1A
SCHEMBL21281469 0.84 DRD2 (0.39) OPRM1OPRL1PARP1ADRA1ADRD2
SCHEMBL21274394 0.82 NPC1 (0.37) PARP1ADRA1ADRD2DRD3ADRA1D
SCHEMBL21281578 0.81 KDM1A (0.36) OPRM1OPRL1PARP1ADRA1ADRD3
SCHEMBL21281500 0.81 ADRA1A (0.45) PARP1ADRA1ADRD2DRD3ADRA1D
SCHEMBL21274471 0.81 SMO (0.42) PARP1ADRA1ADRD2DRD3PDE10A
SCHEMBL21273954 0.80 PARP1 (0.45) OPRM1OPRL1PARP1ADRA1ADRD2
SCHEMBL21268787 0.79 PARP1 (0.42) PARP1ADRA1ADRD2DRD3AKR1C3
SCHEMBL21285605 0.78 ADRA1B (0.38) PARP1ADRA1ADRD2DRD3AKR1C3
SCHEMBL21285495 0.77 PARP1 (0.42) PARP1TSHRADRA1ADRD2DRD3

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
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 OPRM1 3413/4885OPRL1 3156/4885PARP1 158/4885

“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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