SCHEMBL21274397

SCHEMBL21274397

Cc1ccccc1N1CCN(c2ccc3ccn(CCN4CCC(C)(F)C4)c3n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.37
▸ ADRA1B P35368 3/20 0.37
▸ ADRA1A P35348 4/20 0.35
▸ ADRA1D P25100 3/20 0.35
▸ HTR7 P34969 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ DRD2 P14416 3/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ DRD3 P35462 2/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ HTR2B P41595 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
SCHEMBL21285605 0.90 ADRA1B (0.38) HTR1AADRA1BADRA1AADRA1DHTR7
SCHEMBL21281500 0.84 ADRA1A (0.45) HTR1AADRA1BADRA1AADRA1DHTR7
SCHEMBL21273954 0.83 PARP1 (0.45) HTR1AADRA1BADRA1AADRA1DHTR7
Ammonia Solution, Strong SCHEMBL28505508 0.80 ADRA1B (0.35) HTR1AADRA1BADRA1AADRA1DHTR7
SCHEMBL21285495 0.79 PARP1 (0.42) ADRA1BADRA1AADRA1DHTR7ATM
SCHEMBL21268787 0.79 PARP1 (0.42) HTR1AADRA1BADRA1AADRA1DHTR7
SCHEMBL21274394 0.78 NPC1 (0.37) HTR1AADRA1BADRA1AADRA1DHTR7
Formamide SCHEMBL21274109 0.77 PARP1 (0.36) HTR1AADRA1BADRA1AADRA1DHTR7
SCHEMBL21273937 0.77 ADRA1A (0.37) HTR1AADRA1BADRA1AADRA1DATM
SCHEMBL21281578 0.76 KDM1A (0.36) HTR1AADRA1BADRA1AADRA1DHTR7

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 HTR1A 2139/4885ADRA1B 711/4885ADRA1A 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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