SCHEMBL21273986

SCHEMBL21273986

c1cc(N2CCN(c3ccc4ccn(CCN5CCC6(CC5)COC6)c4n3)CC2)n2ccnc2c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.34
▸ KCNH2 Q12809 7/20 0.32
▸ CHRM1 P11229 1/20 0.30
▸ MET P08581 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ KIF18A Q8NI77 1/20 0.30

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
SCHEMBL21274154 0.87 F10 (0.38) F10HTR1ADRD2HTR2A
SCHEMBL21273857 0.86 F10 (0.37) F10HTR1ADRD2HTR2A
SCHEMBL21268759 0.84 F10 (0.33) F10DRD2
SCHEMBL21268718 0.84 F10 (0.36) F10HTR1ADRD2HTR2A
SCHEMBL21273956 0.84 F10 (0.34) F10HTR1A
SCHEMBL21274110 0.83 F10 (0.35) F10HTR1A
SCHEMBL21268772 0.81 F10 (0.39) F10
SCHEMBL21285573 0.81 F10 (0.41) F10
SCHEMBL21268750 0.81 F10 (0.39) F10
SCHEMBL21274330 0.80 F10 (0.35) F10

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 8 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
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
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 F10 4164/4885KCNH2 4098/4885CHRM1 3140/4885

“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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