SCHEMBL22802004

SCHEMBL22802004

CC(=O)N1CCN(c2ccc3ccn(CCN4CCCC4)c3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.46
▸ GBA1 P04062 1/20 0.42
▸ MAP4K4 O95819 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ BPTF Q12830 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ AOC3 Q16853 1/20 0.36

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
SCHEMBL21274069 0.85 PARP1 (0.52) PARP1ALDH1A1HRH3HTR7KDM4E
SCHEMBL21274094 0.85 PARP1 (0.50) PARP1HTR7
SCHEMBL21274108 0.84 ALDH1A1 (0.47) PARP1GBA1ALDH1A1CKS1BSKP1
SCHEMBL21273992 0.84 PARP1 (0.43) PARP1GBA1MAP4K4ALDH1A1HSD17B10
SCHEMBL21274158 0.84 GBA1 (0.44) PARP1GBA1MAP4K4ALDH1A1HSD17B10
SCHEMBL21273999 0.84 SMN1; SMN2 (0.53) PARP1GBA1ALDH1A1GAAKDM4E
SCHEMBL21273928 0.84 PARP1 (0.41) PARP1GBA1ALDH1A1HSD17B10KDM4E
SCHEMBL21281583 0.84 PARP1 (0.51) PARP1HRH3HTR7
SCHEMBL21281443 0.80 HTR7 (0.44) PARP1HRH3HTR7
SCHEMBL21268791 0.79 HTR3E (0.43) PARP1ALDH1A1HSD17B10HRH3HTR7

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 2 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
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US 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 PARP1 158/4885GBA1 124/4885MAP4K4 4538/4885

“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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