SCHEMBL3279337

SCHEMBL3279337

CN1CCNCC1c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
CYP19A1 P11511 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ADRA2C P18825 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
PTK2B Q14289 1/20 0.34
ESR2 Q92731 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL5734703 0.84 KDM4E (0.41) KDM4EGAAMAPT
SCHEMBL6026785 0.84 ADRB1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL27326756 0.83 HTR3A (0.47) CHRNA7CYP19A1
SCHEMBL7400548 0.83 MAOB (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL470846 0.82 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18913839 0.82 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1579434 0.82 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3976295 0.82 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5333427 0.82 TAAR1 (0.32) TAAR1
Hydrochloric Acid SCHEMBL27673502 0.81 CHRNB2 (0.53) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
EP-4121043-A1 MDM2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2023-01-25 EP disclosed
US-20100298557-A1 PYRAZOLOPYRIMIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2010-11-25 US disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
US-7705004-B2 Protein kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
EP-2123654-A1 PYRAZOLOPYRIMIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2009-11-25 EP disclosed
WO-2009026107-A1 PROTEIN KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-26 WO disclosed
US-20090054425-A1 PROTEIN KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-26 US disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
US-7196084-B2 Cdc25 phosphatase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-03-27 US disclosed
US-20060235027-A1 Inhibitors of cdc25 phosphatases SCRAS 2006-10-19 US disclosed
EP-1710238-A1 Benzophenones as inhibitors of reverse transcriptase GLAXO GROUP LIMITED (GB) 2006-10-11 EP disclosed
US-20060154933-A1 Inhibitors of Cdc25 phosphatases SCRAS 2006-07-13 US disclosed
EP-1602368-A2 Cdc25 phosphatase inhibitors Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2005-12-07 EP disclosed
US-20040034103-A1 Cdc25 photophatase inhibitors IPSEN PHARMA S.A.S. (FR) 2004-02-19 US disclosed
EP-1370255-A2 CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-12-17 EP disclosed
EP-1208091-A1 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE GLAXO GROUP LIMITED (GB) 2002-05-29 EP disclosed
WO-2002009686-A2 CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2002-02-07 WO disclosed
WO-2001017982-A1 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE GLAXO GROUP LIMITED (GB) 2001-03-15 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 (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-20040034103-A1 Cdc25 photophatase inhibitors CDC25C, CDC25A, CDC25B CHRNB2 2332/4885CHRNB4 2074/4885CHRNA3 1782/4885
US-20100298557-A1 PYRAZOLOPYRIMIDINE COMPOUND SYK, LCK, FYN CHRNB2 4520/4885CHRNB4 4441/4885CHRNA3 4434/4885
US-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 CHRNB2 2815/4885CHRNB4 3195/4885CHRNA3 2275/4885
US-20060154933-A1 Inhibitors of Cdc25 phosphatases CDC25A, CDC25C, CDC25B CHRNB2 4826/4885CHRNB4 4852/4885CHRNA3 4793/4885
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 CHRNB2 4651/4885CHRNB4 4614/4885CHRNA3 3883/4885
US-20060235027-A1 Inhibitors of cdc25 phosphatases CDC25A, CDC25C, CDC25B CHRNB2 4826/4885CHRNB4 4852/4885CHRNA3 4793/4885
US-20090054425-A1 PROTEIN KINASE INHIBITORS SYK, JAK2, BTK CHRNB2 4615/4885CHRNB4 4710/4885CHRNA3 4543/4885

“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.