SCHEMBL22801943

SCHEMBL22801943

CS(=O)(=O)c1ccccc1N1CCN(c2ccc3ccn(CCN4CCCC4)c3n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.52
▸ ADRA1D P25100 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ HTR6 P50406 3/20 0.40
▸ PARP1 P09874 3/20 0.37
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ JAK2 O60674 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ PTK2 Q05397 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ CHRM4 P08173 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
SCHEMBL21281500 0.84 ADRA1A (0.45) DRD2ADRA1DADRA1AADRA1BPARP1
SCHEMBL21274123 0.81 GPR119 (0.40) DRD2HTR6PARP1TP53JAK2
SCHEMBL21274101 0.81 NPC1 (0.55) DRD2ADRA1DADRA1AADRA1BHTR6
SCHEMBL21281451 0.81 SIGMAR1 (0.37) DRD2ADRA1AADRA1BHTR6PARP1
SCHEMBL21268739 0.80 DRD2 (0.54) DRD2HTR6JAK2JAK3PTK2
SCHEMBL21274069 0.80 PARP1 (0.52) PARP1HRH3
SCHEMBL21274094 0.80 PARP1 (0.50) PARP1GRM2
SCHEMBL21274287 0.79 KCNH2 (0.45) DRD2HTR6PARP1MAPTRXFP1
SCHEMBL21281583 0.78 PARP1 (0.51) PARP1HRH3GRM2
SCHEMBL21273960 0.78 HRH3 (0.53) HTR6HRH3NPC1RAB9A

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 5 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
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
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
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

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 4651/4885ADRA1D 1167/4885ADRA1A 824/4885

“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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