SCHEMBL2687037

SCHEMBL2687037

O=Cc1c(F)cccc1-c1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 1/20 0.39
▸ NFE2L2 Q16236 10/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ERN1 O75460 3/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ TDP2 O95551 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ PLCG1 P19174 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ RIN1 Q13671 1/20 0.35

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
SCHEMBL29912312 1.00 SLC40A1 (0.39) SLC40A1NFE2L2RAB9ASMN1; SMN2LMNA
SCHEMBL27854216 0.82 LMNA (0.43) NFE2L2RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL29117972 0.82 TDP2 (0.41) SLC40A1NFE2L2RAB9ASMN1; SMN2LMNA
SCHEMBL14840705 0.76 ERN1 (0.45) NFE2L2RAB9ASMN1; SMN2LMNAERN1
SCHEMBL29118036 0.75 CYP1A2 (0.46) SLC40A1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL95708 0.75 ERN1 (0.50) NFE2L2LMNAERN1IKBKBCES1
SCHEMBL6270187 0.74 CCNE2 (0.41) NPC1CES1
SCHEMBL29912323 0.74 NFE2L2 (0.42) NFE2L2RAB9ASMN1; SMN2ERN1NPC1
SCHEMBL17597905 0.74 NFE2L2 (0.42) NFE2L2RAB9ASMN1; SMN2ERN1NPC1
SCHEMBL31517695 0.73 NPC1 (0.46) RAB9ASMN1; SMN2L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024056016-A1 FREE BASE CRYSTAL FORM OF POLYCYCLIC COMPOUND OF NITROGEN-CONTAINING HETEROCYCLE, AND PREPARATION METHOD THEREFOR 江苏豪森药业集团有限公司 2024-03-21 — — WO claimed
CN-117700416-A Salts of polycyclic compounds containing nitrogen heterocycles and process for preparing the same 江苏豪森药业集团有限公司 2024-03-15 — — CN claimed
EP-2970207-B1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-16 — — EP claimed
WO-2024056016-A1 FREE BASE CRYSTAL FORM OF POLYCYCLIC COMPOUND OF NITROGEN-CONTAINING HETEROCYCLE, AND PREPARATION METHOD THEREFOR 江苏豪森药业集团有限公司 2024-03-21 — — WO disclosed
CN-117700416-A Salts of polycyclic compounds containing nitrogen heterocycles and process for preparing the same 江苏豪森药业集团有限公司 2024-03-15 — — CN disclosed
EP-4310089-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-01-24 — — EP disclosed
CN-116981670-A Polycyclic compound containing nitrogen heterocycle, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-10-31 — — CN disclosed
CN-110669052-B Substituted 2-azabicyclic compounds and their use as orexin receptor modulators 詹森药业有限公司 2022-10-11 — — CN disclosed
WO-2022194122-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2022-09-22 — — WO disclosed
CN-110669052-A Substituted 2-azabicyclic compounds and their use as orexin receptor modulators 詹森药业有限公司 2020-01-10 — — CN disclosed
US-8859608-B2 Spiro amino compounds suitable for the treatment of inter alia sleep disorders and drug addiction ROTTAPHARM BIOTECH S.R.L. (IT) 2014-10-14 — — US disclosed
US-20120115882-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION ROTTAPHARM BIOTECH S.R.L. (IT) 2012-05-10 — — 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-20120115882-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION SLC1A1, SLC6A3, SLC1A2 SLC40A1 446/4885NFE2L2 934/4885RAB9A 1184/4885

“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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