SCHEMBL62989

SCHEMBL62989

[O]C(=O)CN1CCNCC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.52
CHRM3 P20309 2/20 0.52
SIGMAR1 Q99720 6/20 0.47
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
CHKA P35790 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNB3 Q05901 1/20 0.37
CHRNA6 Q15825 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CXCR4 P61073 1/20 0.35

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
SCHEMBL28759087 0.83 CHRM5 (0.50) CHRM5CHRM3SIGMAR1CA2CA12
SCHEMBL30733932 0.82 CHRM5 (0.53) CHRM5CHRM3SIGMAR1CA2CA12
SCHEMBL337070 0.80 HSD17B10 (0.52) CHRM5CHRM3SIGMAR1CA2CA12
SCHEMBL62990 0.80 HSD17B10 (0.52) CHRM5CHRM3SIGMAR1CA2CA12
SCHEMBL24247411 0.78 CHRM5 (0.55) CHRM5CHRM3SIGMAR1CA2CA12
SCHEMBL2991895 0.78 CHRM5 (0.50) CHRM5CHRM3SIGMAR1CA2CA12
Hydrochloric Acid SCHEMBL4441607 0.78 CHRM5 (0.50) CHRM5CHRM3SIGMAR1CA2CA12
SCHEMBL8038 0.78 CHRM5 (0.55) CHRM5CHRM3SIGMAR1CA2CA12
SCHEMBL24753933 0.78 CHRM5 (0.50) CHRM5CHRM3SIGMAR1CA2CA12
Hydrochloric Acid SCHEMBL1373260 0.78 CHRM5 (0.50) CHRM5CHRM3SIGMAR1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358697-B1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER. CELGENE CORP (US) 2015-10-21 EP claimed
US-8129375-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2012-03-06 US claimed
EP-2358697-A1 Isoindoline compounds for use in the treatment of cancer CELGENE CORPORATION (US) 2011-08-24 EP claimed
US-20100204227-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION 2010-08-12 US 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-8222249-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2012-07-17 US disclosed
US-20120122865-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION 2012-05-17 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
EP-0765160-A4 1997-04-09 EP disclosed
EP-0765160-A1 DEXANABINOL DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE PHARMACEUTICAL COMPOSITIONS RAMOT UNIVERSITY, AUTHORITY FOR APPLIED RESEARCH & INDUSTRIAL DEVELOPMENT LTD. (IL) 1997-04-02 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 (4 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-20100204227-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 CHRM5 586/4885CHRM3 142/4885SIGMAR1 1044/4885
US-20200113896-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY MTOR, ULK1, RICTOR CHRM5 4885/4885CHRM3 4879/4885SIGMAR1 4665/4885
US-20120122865-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 CHRM5 586/4885CHRM3 142/4885SIGMAR1 1044/4885
US-10034872-B2 Methods of treating multiple myeloma with immunomodulatory compounds in combination with antibodies CHP1, MCL1, CSGALNACT1 CHRM5 3307/4885CHRM3 1959/4885SIGMAR1 4764/4885

“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.