SCHEMBL21268761

SCHEMBL21268761

Cc1ccccc1N1CCN(c2ccc3ccn(CCO[Si](C)(C)C(C)(C)C)c3n2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ DUT P33316 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ DRD2 P14416 5/20 0.33
▸ DRD4 P21917 3/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ HTR7 P34969 1/20 0.32
▸ AR P10275 1/20 0.32
▸ HTR3E A5X5Y0 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HTR3B O95264 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ HTR3D Q70Z44 1/20 0.32
▸ HTR3C Q8WXA8 1/20 0.32
▸ HRH4 Q9H3N8 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
SCHEMBL21285495 0.81 PARP1 (0.42) NPC1RAB9AATMPARP1DRD2
SCHEMBL21268787 0.81 PARP1 (0.42) NPC1RAB9AATMPARP1DRD2
SCHEMBL21281500 0.79 ADRA1A (0.45) ATMPARP1DRD2DRD3HTR7
SCHEMBL21273954 0.78 PARP1 (0.45) ATMPARP1DRD2DRD3HTR7
SCHEMBL21268775 0.78 LMNA (0.38) NPC1RAB9APARP1HTR7ALDH1A1
SCHEMBL21268714 0.78 F10 (0.34) DUTPARP1
SCHEMBL21273937 0.76 ADRA1A (0.37) NPC1RAB9AATMPARP1DRD2
SCHEMBL21274394 0.76 NPC1 (0.37) NPC1RAB9AATMPARP1DRD2
SCHEMBL21281585 0.75 PARP1 (0.44) NPC1RAB9AATMPARP1HTR3E
SCHEMBL21268716 0.72 DUT (0.43) DUTHTR7

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 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 685/4885DUT 2408/4885

“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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