SCHEMBL21281512

SCHEMBL21281512

c1ccc(C2CCN(c3ccc4ccn(CCN5CCCC5)c4n3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ SLC18A3 Q16572 1/20 0.42
▸ SMPD3 Q9NY59 2/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ GRM2 Q14416 2/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ CARM1 Q86X55 1/20 0.40
▸ PRMT6 Q96LA8 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ KDM6B O15054 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTR1A P08908 1/20 0.38

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
SCHEMBL21274094 0.84 PARP1 (0.50) SMPD3GRM2
SCHEMBL21274287 0.83 KCNH2 (0.45) SIGMAR1DRD2DRD3CYP2D6HTR1A
SCHEMBL21281583 0.83 PARP1 (0.51) SMPD3GRM2HRH3
SCHEMBL21281496 0.81 CASP1 (0.51) SIGMAR1HRH3
SCHEMBL21273960 0.80 HRH3 (0.53) HRH3CYP1A2CYP3A4HTR1A
SCHEMBL21274069 0.79 PARP1 (0.52) HRH3CYP1A2
SCHEMBL21273939 0.79 SLC6A2 (0.47) DRD2DRD3HTR1AADRA1B
SCHEMBL21268791 0.78 HTR3E (0.43) HRH3CYP1A2CYP3A4HTR1A
SCHEMBL21285669 0.77 SIGMAR1 (0.46) SIGMAR1DRD3HRH3
SCHEMBL21281500 0.77 ADRA1A (0.45) DRD2DRD3HTR1AADRA1B

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 6 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
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
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
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
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 SIGMAR1 3366/4885DRD2 4651/4885SLC18A3 3542/4885

“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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