SCHEMBL15450906

SCHEMBL15450906

CC(=O)N1CCC(N2CCC(C)CC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM1 P11229 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL3 Q96JM7 3/20 0.41
EPHX2 P34913 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ACHE P22303 1/20 0.41
EPHX1 P07099 1/20 0.41
MBTD1 Q05BQ5 1/20 0.41
TP53BP1 Q12888 1/20 0.41
L3MBTL4 Q8NA19 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL13207242 0.89 KDM4E (0.42) KDM4EPOLBALDH1A1NPC1MEN1
SCHEMBL27183 0.87 ALDH1A1 (0.56) KDM4EALDH1A1NPC1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL27272188 0.85 ALDH1A1 (0.54) KDM4EALDH1A1NPC1MEN1KMT2A
SCHEMBL13227538 0.84 KDM4E (0.53) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL21561083 0.84 KDM4E (0.42) KDM4EALDH1A1NPC1KMT2AL3MBTL3
SCHEMBL736302 0.84 KDM4E (0.53) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL18949269 0.84 KDM4E (0.56) KDM4EPOLBALDH1A1NPC1MEN1
SCHEMBL13207179 0.83 L3MBTL3 (0.56) L3MBTL3EPHX2L3MBTL1EPHX1MBTD1
SCHEMBL3938492 0.83 L3MBTL3 (0.56) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL17284621 0.82 CHRM1 (0.44) CHRM1LMNAL3MBTL3EPHX2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-05-25 US disclosed
US-9637492-B2 Benzothiazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-05-02 US disclosed
US-9604984-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2017-03-28 US disclosed
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-08-18 US disclosed
US-9346815-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2016-05-24 US disclosed
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-11-26 US disclosed
US-20150225407-A1 Benzothiazole Kinase Inhibitors and Methods of Use INTELLIKINE LLC 2015-08-13 US disclosed
US-8993580-B2 Benzothiazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2015-03-31 US disclosed
US-8637542-B2 Kinase inhibitors and methods of use INTELLIKINE, INC. (US) 2014-01-28 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 (5 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-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 KDM4E 708/4885POLB 339/4885ALDH1A1 729/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 KDM4E 708/4885POLB 339/4885ALDH1A1 729/4885
US-20150225407-A1 Benzothiazole Kinase Inhibitors and Methods of Use MTOR, PDPK1, PIKFYVE KDM4E 529/4885POLB 3346/4885ALDH1A1 4673/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 KDM4E 708/4885POLB 339/4885ALDH1A1 729/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 KDM4E 320/4885POLB 1307/4885ALDH1A1 1563/4885

“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.