SCHEMBL3849006

SCHEMBL3849006

Brc1ccc2nccc(N3CCNCC3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 1.00
ADRB2 P07550 3/20 0.64
HTT P42858 1/20 0.62
HTR6 P50406 10/20 0.52
HTR1A P08908 4/20 0.50
HTR1D P28221 4/20 0.50
HTR1B P28222 4/20 0.50
HTR2A P28223 2/20 0.50
PIM1 P11309 1/20 0.48
PIM3 Q86V86 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
HTR7 P34969 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL30018646 0.88 NCF1 (0.79) NCF1ADRB2HTTHTR6DRD3
SCHEMBL29472100 0.86 NCF1 (0.76) NCF1ADRB2HTT
SCHEMBL22715673 0.86 NCF1 (0.76) NCF1ADRB2HTT
Tert-Butyl Formate SCHEMBL25389058 0.86 NCF1 (0.74) NCF1ADRB2HTTHTR6HTR1A
SCHEMBL731691 0.85 NCF1 (0.74) NCF1ADRB2HTT
SCHEMBL17729254 0.82 NCF1 (0.70) NCF1ADRB2HTR6HTR1AHTR1D
SCHEMBL3847734 0.82 NCF1 (0.70) NCF1ADRB2HTTHTR6HTR1A
SCHEMBL1543989 0.82 NCF1 (0.70) NCF1ADRB2HTT
SCHEMBL3948439 0.82 NCF1 (0.70) NCF1ADRB2HTR6HTR1AHTR1D
SCHEMBL2924886 0.82 NCF1 (0.79) NCF1ADRB2HTR6HTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368104-A1 Novel Dialkoxynaphtho[2,3-C]Furan-1(3H)-One Derivatives and Pharmaceutical Composition For Preventing or Treating Respiratory Disease or SARS-COV-2 Infection Disease, Comprising Same DONG WHA PHARM. CO., LTD. (KR) 2024-11-07 US disclosed
WO-2023165581-A1 PYRIDINE DERIVATIVE AND USE THEREOF 四川汇宇制药股份有限公司 2023-09-07 WO disclosed
WO-2022208382-A1 NOVEL DIALKOXYNAPHTHO[2,3-C]FURAN-1(3H)-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESPIRATORY DISEASE OR SARS-COV-2 INFECTION DISEASE, COMPRISING SAME 동화약품주식회사 2022-10-06 WO disclosed
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP 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-20240368104-A1 Novel Dialkoxynaphtho[2,3-C]Furan-1(3H)-One Derivatives and Pharmaceutical Composition For Preventing or Treating Respiratory Disease or SARS-COV-2 Infection Disease, Comprising Same IL5, ACE2, IL15 NCF1 2317/4885ADRB2 473/4885HTT 2726/4885

“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.