SCHEMBL3528070

SCHEMBL3528070

O=C(c1ccoc1)N1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.60
CHRNB4 P30926 1/20 0.60
CHRNA3 P32297 1/20 0.60
CHRNA7 P36544 1/20 0.60
CHRNA4 P43681 1/20 0.60
SIGMAR1 Q99720 1/20 0.59
HPGD P15428 1/20 0.50
ALDH1A1 P00352 2/20 0.47
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
NAMPT P43490 1/20 0.44
EPHX2 P34913 2/20 0.43
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41

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
SCHEMBL28159515 0.84 HPGD (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL29944401 0.82 HPGD (0.62) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL11284352 0.81 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13633413 0.79 GABRD (0.52) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL16802294 0.79 POLB (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4155286 0.79 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL642242 0.79 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8358137 0.79 SIGMAR1 (0.81) SIGMAR1HPGDALDH1A1RXFP1MKNK1
SCHEMBL14115751 0.77 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL584197 0.76 CHRNA4 (1.00) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104046246-B The chemical-mechanical planarization of tungsten-containing substrate 气体产品与化学公司 2016-06-15 CN claimed
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US claimed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP claimed
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN claimed
CN-115246804-A Coumarin derivatives and application thereof in preventing and treating nervous system diseases 中国医学科学院药物研究所 2022-10-28 CN disclosed
US-20160244457-A1 SELECTIVE EFFLUX INHIBITORS AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATMENT UNIV KANSAS (US) 2016-08-25 US disclosed
CN-104046246-B The chemical-mechanical planarization of tungsten-containing substrate 气体产品与化学公司 2016-06-15 CN disclosed
US-20150197526-A1 SELECTIVE EFFLUX INHIBITORS AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATMENT UNIVERSITY OF KANSAS 2015-07-16 US disclosed
US-9056111-B1 Selective efflux inhibitors and related pharmaceutical compositions and methods of treatment STC.UNM (US) 2015-06-16 US disclosed
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US disclosed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP disclosed
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN disclosed
EP-1813609-A2 NOVEL AMINOPYRIDINE DERIVATIVES HAVING SELECTIVE AURORA-A INHIBITORY EFFECT BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 EP disclosed
WO-2007047146-A2 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2007-04-26 WO disclosed
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2006-05-18 US disclosed
US-5561140-A IMMUNOSUPPRESSANTS; SIDE EFFECT REDUCTION ABBOTT LABORATORIES (US) 1996-10-01 US disclosed
US-5530119-A IMMUNOSUPPRESSANTS ABBOTT LABORATORIES (US) 1996-06-25 US disclosed
EP-0690713-A1 SUBSTITUTED ALICYCLIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1996-01-10 EP disclosed
WO-1994021254-A1 SUBSTITUTED ALICYCLIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1994-09-29 WO disclosed
US-4171361-A HYPOTENSIVE ELI LILLY AND COMPANY (US) 1979-10-16 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 (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-20150197526-A1 SELECTIVE EFFLUX INHIBITORS AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATMENT ABCB1, ABCG2, ABCC5 CHRNB2 4803/4885CHRNB4 4820/4885CHRNA3 4744/4885
US-20060106029-A1 Novel aminopyridine derivatives having aurora a selective inhibitory action AURKA, AURKC, AURKB CHRNB2 786/4885CHRNB4 822/4885CHRNA3 391/4885
US-20160244457-A1 SELECTIVE EFFLUX INHIBITORS AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATMENT ABCB1, ABCG2, ABCC5 CHRNB2 4803/4885CHRNB4 4820/4885CHRNA3 4744/4885

“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.