SCHEMBL19665709

SCHEMBL19665709

CC1(Nc2ncc([N+](=O)[O-])c(NC3CCN(C(=O)OC(C)(C)C)CC3)n2)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 2/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ EHMT2 Q96KQ7 1/20 0.40
▸ RCOR1 Q9UKL0 1/20 0.40
▸ IDH1 O75874 1/20 0.40
▸ IDH2 P48735 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ DNMT3A Q9Y6K1 1/20 0.40
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MERTK Q12866 2/20 0.39
▸ FLT3 P36888 1/20 0.39

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
SCHEMBL28644748 0.98 GPR119 (0.42) GPR119ALDH1A1MAPTNSD2NPC1
SCHEMBL29802579 0.98 GPR119 (0.42) GPR119ALDH1A1MAPTNSD2NPC1
SCHEMBL19665684 0.93 GPR119 (0.41) GPR119ALDH1A1MAPTNSD2NPC1
SCHEMBL19665548 0.87 GSK3B (0.43) MAPTMAPK8MAPK9FLT3BTK
SCHEMBL29802481 0.86 ALDH1A1 (0.43) GPR119ALDH1A1MAPTNSD2NPC1
SCHEMBL19665708 0.86 ALDH1A1 (0.43) GPR119ALDH1A1MAPTNSD2NPC1
SCHEMBL19665599 0.86 GSK3B (0.43) MAPTMAPK8MAPK9FLT3BTK
SCHEMBL19665606 0.86 GPR119 (0.46) GPR119ALDH1A1MAPTNSD2NPC1
SCHEMBL19665769 0.84 GPR119 (0.45) GPR119ALDH1A1MAPTNSD2NPC1
SCHEMBL19665728 0.84 ALDH1A1 (0.43) GPR119ALDH1A1MAPTNSD2NPC1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464287-B1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2022-06-08 — — EP disclosed
US-11344554-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2022-05-31 — — US disclosed
CN-109563095-B Animal and human antimalarial agents 细胞基因公司 2021-10-29 — — CN disclosed
US-20200330469-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2020-10-22 — — US disclosed
US-10736899-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2020-08-11 — — US disclosed
US-10420771-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2019-09-24 — — US disclosed
EP-3464287-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS Celgene Corporation (US) 2019-04-10 — — EP disclosed
US-20180280398-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2018-10-04 — — US disclosed
US-10016436-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2018-07-10 — — US disclosed
WO-2017210399-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORPORATION (US) 2017-12-07 — — WO disclosed
US-20170348316-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORPORATION 2017-12-07 — — 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 (7 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-20200330469-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, UMPS, PNP GPR119 375/4885ALDH1A1 1152/4885MAPT 242/4885
US-20170348316-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, NUDT1, UMPS GPR119 682/4885ALDH1A1 968/4885MAPT 262/4885
US-10420771-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP GPR119 336/4885ALDH1A1 1270/4885MAPT 250/4885
US-10736899-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP GPR119 375/4885ALDH1A1 1152/4885MAPT 242/4885
US-10016436-B2 Animal and human anti-malarial agents HPRT1, NUDT1, UMPS GPR119 682/4885ALDH1A1 968/4885MAPT 262/4885
US-11344554-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP GPR119 375/4885ALDH1A1 1152/4885MAPT 242/4885
US-20180280398-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, UMPS, PNP GPR119 375/4885ALDH1A1 1152/4885MAPT 242/4885

“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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