SCHEMBL21274036

SCHEMBL21274036

COC1CCN(CCn2ccc3ccc(N4CCN(c5ccccc5C)CC4)nc32)C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ADRA1B P35368 2/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ NTSR1 P30989 1/20 0.33
▸ OGA O60502 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ LTA4H P09960 1/20 0.32
▸ HTR1A P08908 1/20 0.32

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
SCHEMBL21274394 0.93 NPC1 (0.37) NPC1RAB9AADRA1BADRA1DADRA1A
SCHEMBL21281578 0.85 KDM1A (0.36) ADRA1BADRA1DADRA1AHTR7ATM
SCHEMBL21281462 0.83 CARM1 (0.43) —
SCHEMBL21281500 0.83 ADRA1A (0.45) ADRA1BADRA1DADRA1AHTR7ATM
SCHEMBL22822845 0.83 NPC1 (0.36) NPC1RAB9AADRA1BADRA1DADRA1A
SCHEMBL21273958 0.83 DRD2 (0.38) ADRA1BADRA1DADRA1AKCNH2OPRL1
SCHEMBL21273954 0.82 PARP1 (0.45) ADRA1BADRA1DADRA1AHTR7ATM
SCHEMBL21281581 0.81 PARP1 (0.38) ADRA1BADRA1DADRA1APARP1KMT2A
SCHEMBL21274145 0.81 KCNH2 (0.34) ADRA1BADRA1DADRA1AKCNH2HTR7
SCHEMBL21268787 0.78 PARP1 (0.42) NPC1RAB9AADRA1BADRA1DADRA1A

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 NPC1 533/4885RAB9A 685/4885ADRA1B 711/4885

“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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