SCHEMBL8396113

SCHEMBL8396113

CCCNC(=O)CN1CCN(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.55
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALOX15 P16050 1/20 0.46
NPFFR1 Q9GZQ6 1/20 0.43
NPFFR2 Q9Y5X5 1/20 0.43
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL27259214 0.87 SIGMAR1 (0.56) SIGMAR1ALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL18871388 0.86 SIGMAR1 (0.57) SIGMAR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL18118428 0.85 ALDH1A1 (0.53) SIGMAR1ALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL4578879 0.85 SIGMAR1 (0.55) SIGMAR1ALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL5095076 0.85 SIGMAR1 (0.55) SIGMAR1ALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL15834506 0.85 ALDH1A1 (0.53) SIGMAR1ALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL10223654 0.85 ALDH1A1 (0.74) SIGMAR1ALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL8434592 0.85 SIGMAR1 (0.54) SIGMAR1ALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL47686 0.84 ALDH1A1 (0.49) SIGMAR1ALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL18623944 0.84 SIGMAR1 (0.54) SIGMAR1ALDH1A1KDM4ETDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
US-8492163-B2 Methods, mixtures, kits and compositions pertaining to analyte determination DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2013-07-23 US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
EP-2518067-A1 Derivatives of N-[(1H-pyrazol-1-YL)aryl]-1H-indole or 1H- indazole-3-carboxamide and their therapeutic uses as P2Y12 antagonists SANOFI (FR) 2012-10-31 EP disclosed
US-20120196378-A1 Methods, Mixtures, Kits and Compositions Pertaining to Analyte Determination DH TECHNOLOGIES DEVELOPMNET PTE LTD. (SI) 2012-08-02 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-7906341-B2 Isobaric sets, mass differential labeling sets; mass spectrometry DH TECHNOLOGIES DEVELOPMENT PTE, LTD. (SG) 2011-03-15 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080241955-A1 Methods, Mixtures, Kits And Compositions Pertaining To Analyte Determination APPLERA CORPORATION (US) 2008-10-02 US disclosed
US-20080132500-A1 Antibiotic compounds MERCK SHARP & DOHME CORP. 2008-06-05 US disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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 (9 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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 SIGMAR1 2096/4885ALDH1A1 1649/4885KDM4E 4094/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR SIGMAR1 650/4885ALDH1A1 411/4885KDM4E 4651/4885
US-20080241955-A1 Methods, Mixtures, Kits And Compositions Pertaining To Analyte Determination SRMS, KLK3, MPO SIGMAR1 4448/4885ALDH1A1 130/4885KDM4E 3783/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 SIGMAR1 4683/4885ALDH1A1 3553/4885KDM4E 840/4885
US-20120196378-A1 Methods, Mixtures, Kits and Compositions Pertaining to Analyte Determination SRMS, KLK3, MPO SIGMAR1 4448/4885ALDH1A1 130/4885KDM4E 3783/4885
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET SIGMAR1 3727/4885ALDH1A1 3139/4885KDM4E 2282/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET SIGMAR1 3727/4885ALDH1A1 3139/4885KDM4E 2282/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 SIGMAR1 4190/4885ALDH1A1 2765/4885KDM4E 3392/4885
US-20080132500-A1 Antibiotic compounds NRDC, MRPL21, PEPD SIGMAR1 2910/4885ALDH1A1 3691/4885KDM4E 4740/4885

“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.