SCHEMBL21274498

SCHEMBL21274498

Clc1ccc(N2CCN(c3ccc4ccn(CCN5CCCC5)c4n3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 3/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTR1A P08908 3/20 0.40
▸ DRD4 P21917 3/20 0.39
▸ HTR2C P28335 3/20 0.39
▸ DRD3 P35462 3/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ HRH1 P35367 2/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SIGMAR1 Q99720 3/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL21281443 0.88 HTR7 (0.44) HTR7HRH3HTR1ADRD3SLC6A4
SCHEMBL21274474 0.88 PIM1 (0.44) HRH3GAADRD4HTR2CDRD3
SCHEMBL21274287 0.88 KCNH2 (0.45) HTR7HTR1ADRD4DRD3HTR2A
SCHEMBL21274001 0.87 CHKA (0.43) HRH3HRH1DRD2MAPTPARP1
SCHEMBL21274049 0.86 DRD2 (0.50) HTR7HRH3HTR1ADRD3SLC6A4
SCHEMBL21285667 0.86 HTR7 (0.46) HTR7HRH3DRD2PARP1
SCHEMBL21274094 0.86 PARP1 (0.50) HTR7PARP1
SCHEMBL21274105 0.85 KDM4E (0.40) HTR7HRH3KDM4EHTR1AHRH1
SCHEMBL21281583 0.85 PARP1 (0.51) HTR7HRH3PARP1
SCHEMBL21274069 0.84 PARP1 (0.52) HTR7HRH3KDM4EPARP1

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 HTR7 1819/4885HRH3 1040/4885KDM4E 1908/4885

“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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