SCHEMBL21274096

SCHEMBL21274096

CN1CCCC(C(=O)N2CCN(c3ccc4ccn(CCN5CCCC5)c4n3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 3/20 0.47
▸ PARP1 P09874 3/20 0.41
▸ DGAT2 Q96PD7 7/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GBA1 P04062 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
SCHEMBL21273992 0.90 PARP1 (0.43) PARP1DGAT2KMT2AKDM4EALDH1A1
SCHEMBL21274158 0.90 GBA1 (0.44) PARP1DGAT2KMT2AKDM4EALDH1A1
SCHEMBL21273968 0.85 PARP1 (0.40) PARP1DGAT2KMT2AKDM4EALDH1A1
SCHEMBL21273928 0.83 PARP1 (0.41) PARP1KMT2AKDM4EALDH1A1HPGD
SCHEMBL22802004 0.82 PARP1 (0.46) PARP1KDM4EALDH1A1HSD17B10GBA1
SCHEMBL21274069 0.79 PARP1 (0.52) PARP1KDM4EALDH1A1
SCHEMBL21274108 0.78 ALDH1A1 (0.47) PARP1KMT2AKDM4EALDH1A1HPGD
SCHEMBL21273999 0.78 SMN1; SMN2 (0.53) PARP1KDM4EALDH1A1GBA1
SCHEMBL21274094 0.77 PARP1 (0.50) PARP1
SCHEMBL21281583 0.75 PARP1 (0.51) PARP1

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 CCR4 922/4885PARP1 158/4885DGAT2 1892/4885

“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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