SCHEMBL3932279

SCHEMBL3932279

[CH2]c1ccccc1NC(=O)C1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.64
HDAC3 O15379 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC2 Q92769 1/20 0.64
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 3/20 0.59
HPGD P15428 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TSHR P16473 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.49
MAOB P27338 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL12323604 0.85 CETP (0.77) CETPHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL28256535 0.85 CETP (0.77) CETPHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL28258088 0.85 CETP (0.77) CETPHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL43074 0.79 HDAC3 (0.69) CETPHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL28734434 0.79 CETP (0.69) CETPHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL12791628 0.79 CETP (0.64) CETPHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL19423434 0.79 CETP (0.69) CETPHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL13703413 0.78 HDAC3 (0.71) CETPHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL13212284 0.78 CETP (1.00) CETPHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL11734795 0.78 ALDH1A1 (0.70) CETPHDAC3HDAC1HDAC2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780841-B2 3,6-methano-1H-pyrrolo[3,2-b]pyridine and 3,6-methano-1H-pyrrolo[3,2-c]pyridine compounds and medicaments using same IRIMAJIRI THERAPEUTICS INC. (JP) 2023-10-10 US disclosed
EP-4104902-A1 COMPOUND AND DRUG CONTAINING SAME Oita University Institute of Advanced Medicine, Inc. (JP) 2022-12-21 EP disclosed
US-20220194942-A1 3,6-METHANO-1H-PYRROLO[3,2-b]PYRIDINE AND 3,6-METHANO-1H-PYRROLO[3,2-c]PYRIDINE COMPOUNDS AND MEDICAMENTS USING SAME IRIMAJIRI THERAPEUTICS INC. (JP) 2022-06-23 US disclosed
US-20210214356-A1 COMPOUNDS AND MEDICAMENTS USING SAME IRIMAJIRI THERAPEUTICS INC. (JP) 2021-07-15 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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 (3 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-11780841-B2 3,6-methano-1H-pyrrolo[3,2-b]pyridine and 3,6-methano-1H-pyrrolo[3,2-c]pyridine compounds and medicaments using same AVPR1B, AVPR2, F12 CETP 3820/4885HDAC3 1365/4885HDAC1 1965/4885
US-20210214356-A1 COMPOUNDS AND MEDICAMENTS USING SAME F12, GDI2, RDX CETP 3050/4885HDAC3 877/4885HDAC1 607/4885
US-20220194942-A1 3,6-METHANO-1H-PYRROLO[3,2-b]PYRIDINE AND 3,6-METHANO-1H-PYRROLO[3,2-c]PYRIDINE COMPOUNDS AND MEDICAMENTS USING SAME AVPR1B, AVPR2, F12 CETP 3820/4885HDAC3 1365/4885HDAC1 1965/4885

“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.