SCHEMBL21274333

SCHEMBL21274333

CN[C@H]1C[C@H](n2cc(C#N)c3ccc(N4CCN(c5ccc(S(C)(=O)=O)cc5)CC4)nc32)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 8/20 0.44
▸ LRRK2 Q5S007 3/20 0.39
▸ HSD11B1 P28845 1/20 0.37
▸ CTSB P07858 2/20 0.35
▸ CTSS P25774 2/20 0.35
▸ CTSK P43235 2/20 0.35
▸ AR P10275 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ AOC3 Q16853 1/20 0.34
▸ AKR1C3 P42330 1/20 0.33

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
SCHEMBL21274332 1.00 GPR119 (0.44) GPR119LRRK2HSD11B1CTSBCTSS
SCHEMBL21274175 0.90 GPR119 (0.41) GPR119LRRK2
SCHEMBL21274177 0.90 GPR119 (0.41) GPR119LRRK2
SCHEMBL21274063 0.89 PIK3CD (0.40) GPR119LRRK2
SCHEMBL21274066 0.89 PIK3CD (0.40) GPR119LRRK2
SCHEMBL21274380 0.88 GPR119 (0.40) GPR119HSD11B1AKR1C3
SCHEMBL21274383 0.88 GPR119 (0.40) GPR119HSD11B1AKR1C3
SCHEMBL21268721 0.87 GPR119 (0.39) GPR119HSD11B1AKR1C3
SCHEMBL22801995 0.87 MAPT (0.34) HSD11B1
SCHEMBL22801994 0.87 MAPT (0.34) HSD11B1

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 GPR119 388/4885LRRK2 75/4885HSD11B1 1156/4885

“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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