SCHEMBL62138

SCHEMBL62138

[c]1cccc(OC2CCNCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.62
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
IKBKB O14920 1/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 3/20 0.40
HTR1A P08908 2/20 0.40
ROCK1 Q13464 2/20 0.38
ROCK2 O75116 1/20 0.38
PRKACA P17612 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKG1 Q13976 1/20 0.38
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
Q6ZSR9 Q6ZSR9 1/20 0.38
BMP2K Q9NSY1 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38
SLC6A4 P31645 1/20 0.37

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
SCHEMBL514610 0.87 HRH1 (0.42) HRH1CHRNB2CHRNA4SLC6A2SLC6A3
SCHEMBL231149 0.84 HRH1 (0.40) HRH1CHRNB2CHRNA4SLC6A2SLC6A3
SCHEMBL22697 0.84 HRH1 (0.40) HRH1CHRNB2CHRNA4SLC6A2SLC6A3
SCHEMBL676540 0.82 HRH1 (0.39) HRH1CHRNB2CHRNA4SLC6A2SLC6A3
SCHEMBL2921788 0.82 HRH1 (0.39) HRH1CHRNB2CHRNA4SLC6A2SLC6A3
SCHEMBL22141 0.82 HRH1 (0.39) HRH1CHRNB2CHRNA4SLC6A2SLC6A3
SCHEMBL16987030 0.79 KAT2B (0.37) HRH1SLC6A2SLC6A3SLC6A4HRH3
SCHEMBL1895833 0.78 HRH1 (0.66) HRH1CHRNB2CHRNA4IKBKBSLC6A2
SCHEMBL211130 0.77 HRH1 (1.00) HRH1CHRNB2CHRNA4SLC6A2SLC6A3
SCHEMBL21468838 0.77 HRH1 (1.00) HRH1CHRNB2CHRNA4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2985281-A2 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Celgene Corporation (US) 2016-02-17 EP claimed
US-20130045976-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION (US) 2013-02-21 US claimed
EP-2358697-A1 Isoindoline compounds for use in the treatment of cancer CELGENE CORPORATION (US) 2011-08-24 EP claimed
WO-2010053732-A1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CELGENE CORPORATION (US) 2010-05-14 WO claimed
EP-3925609-A1 METHODS OF TREATING MULTIPLE MYELOMA WITH IMMUNOMODULATORY COMPOUNDS IN COMBINATION WITH ANTIBODIES Celgene Corporation (US) 2021-12-22 EP disclosed
US-20200113896-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY SIGNAL PHARM LLC (US) 2020-04-16 US disclosed
EP-3354646-A1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Celgene Corporation (US) 2018-08-01 EP disclosed
US-10034872-B2 Methods of treating multiple myeloma with immunomodulatory compounds in combination with antibodies CELGENE CORPORATION (US) 2018-07-31 US disclosed
EP-2985281-B1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CELGENE CORP (US) 2017-12-27 EP disclosed
US-9796698-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2017-10-24 US disclosed
EP-3182996-A1 METHODS OF TREATING MULTIPLE MYELOMA WITH IMMUNOMODULATORY COMPOUNDS IN COMBINATION WITH ANTIBODIES Celgene Corporation (US) 2017-06-28 EP disclosed
US-20170088538-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION 2017-03-30 US disclosed
US-8129375-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2012-03-06 US disclosed
EP-2358697-A1 Isoindoline compounds for use in the treatment of cancer CELGENE CORPORATION (US) 2011-08-24 EP disclosed
US-20100204227-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION 2010-08-12 US disclosed
WO-2010053732-A1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CELGENE CORPORATION (US) 2010-05-14 WO disclosed
US-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. 2008-10-02 US disclosed
EP-1694638-A1 N-SUBSTITUTED-N-SULFONYLAMINOCYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2006-08-30 EP disclosed
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2005-10-06 US disclosed
WO-2005058808-A1 N-SUBSTITUTED-N-SULFONYLAMINOCYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 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-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof MMP13, MMP11, MMP3 HRH1 280/4885CHRNB2 2721/4885CHRNA4 2377/4885
US-20170088538-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 HRH1 751/4885CHRNB2 1137/4885CHRNA4 1767/4885
US-20100204227-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 HRH1 751/4885CHRNB2 1137/4885CHRNA4 1767/4885
US-20200113896-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY MTOR, ULK1, RICTOR HRH1 3313/4885CHRNB2 4868/4885CHRNA4 4837/4885
US-20130045976-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 HRH1 751/4885CHRNB2 1137/4885CHRNA4 1767/4885
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof MMP13, MMP11, MMP1 HRH1 266/4885CHRNB2 2657/4885CHRNA4 2325/4885
US-10034872-B2 Methods of treating multiple myeloma with immunomodulatory compounds in combination with antibodies CHP1, MCL1, CSGALNACT1 HRH1 3250/4885CHRNB2 3446/4885CHRNA4 2860/4885

“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.