SCHEMBL21273937

SCHEMBL21273937

Cc1ccccc1N1CCN(c2ccc3ccn(CCNC(C)C)c3n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 5/20 0.37
▸ DRD2 P14416 3/20 0.37
▸ DRD3 P35462 3/20 0.37
▸ ADRA1D P25100 3/20 0.37
▸ ADRA1B P35368 2/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ ATM Q13315 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ DRD4 P21917 1/20 0.34

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) ADRA1ADRD2DRD3ADRA1DADRA1B
SCHEMBL21285495 0.83 PARP1 (0.42) ADRA1ADRD2DRD3ADRA1DADRA1B
SCHEMBL21268787 0.83 PARP1 (0.42) ADRA1ADRD2DRD3ADRA1DADRA1B
SCHEMBL21273954 0.81 PARP1 (0.45) ADRA1ADRD2DRD3ADRA1DADRA1B
Ammonia Solution, Strong SCHEMBL28505508 0.80 ADRA1B (0.35) ADRA1ADRD3ADRA1DADRA1BPARP1
SCHEMBL21285605 0.78 ADRA1B (0.38) ADRA1ADRD2DRD3ADRA1DADRA1B
SCHEMBL21268806 0.78 HRH3 (0.42) HRH3
SCHEMBL21281450 0.78 HRH3 (0.42) HRH3
SCHEMBL21274100 0.78 HRH3 (0.42) HRH3
SCHEMBL21281585 0.78 PARP1 (0.44) ADRA1AADRA1DADRA1BPARP1ATM

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 10 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
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 ADRA1A 824/4885DRD2 4651/4885DRD3 4673/4885

“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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