SCHEMBL21274017

SCHEMBL21274017

[CH2]CN1CCC(c2ccccn2)C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.50
PDCD1LG2 Q9BQ51 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
DRD2 P14416 6/20 0.44
DRD3 P35462 3/20 0.44
USP30 Q70CQ3 1/20 0.44
HSD11B1 P28845 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
SPR P35270 1/20 0.43
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL3845634 0.84 DRD4 (0.50) DRD4PDCD1LG2CD274DRD2DRD3
SCHEMBL19117549 0.84 DRD4 (0.50) DRD4PDCD1LG2CD274DRD2DRD3
SCHEMBL2076700 0.83 HSD11B1 (0.46) DRD4PDCD1LG2CD274DRD2DRD3
SCHEMBL8003967 0.83 DRD4 (0.52) DRD4DRD2DRD3CHRM2CHRM4
SCHEMBL14868702 0.81 PDCD1LG2 (0.52) DRD4PDCD1LG2CD274DRD2DRD3
SCHEMBL8844465 0.81 PDCD1LG2 (0.52) DRD4PDCD1LG2CD274DRD2DRD3
SCHEMBL12772596 0.80 DRD4 (0.47) DRD4PDCD1LG2CD274DRD2DRD3
SCHEMBL13995496 0.79 ADRA1D (0.48) DRD4PDCD1LG2CD274DRD2DRD3
SCHEMBL10819399 0.79 DRD4 (0.54) DRD4PDCD1LG2CD274DRD2DRD3
SCHEMBL12813883 0.78 DRD4 (0.51) DRD4PDCD1LG2CD274DRD2DRD3

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 4 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

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 DRD4 4697/4885PDCD1LG2 1004/4885CD274 1471/4885

“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.