SCHEMBL20121672

SCHEMBL20121672

Cc1ccc(N2CCC(N3CCCCC3)CC2)cc1N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 10/20 0.53
L3MBTL1 Q9Y468 10/20 0.53
ADRB1 P08588 4/20 0.52
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
KHK P50053 3/20 0.47
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MBTD1 Q05BQ5 4/20 0.46
TP53BP1 Q12888 4/20 0.42
HTR7 P34969 1/20 0.42
L3MBTL4 Q8NA19 1/20 0.41

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
SCHEMBL22754166 0.79 L3MBTL3 (0.68) L3MBTL3L3MBTL1ADRB1MBTD1TP53BP1
SCHEMBL27606543 0.78 ADRB1 (0.54) ADRB1ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL17689751 0.77 ADRB1 (0.43) ADRB1ALDH1A1MAPTKHKSMN1; SMN2
SCHEMBL27606324 0.76 ADRB1 (0.63) ADRB1ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL10209402 0.75 KHK (0.50) L3MBTL3L3MBTL1ADRB1KHKHTR7
SCHEMBL14747897 0.75 L3MBTL3 (0.62) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL21761919 0.75 L3MBTL3 (0.62) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL18427059 0.75 ADRB1 (0.39) ADRB1SMN1; SMN2HTR7
SCHEMBL1911852 0.75 L3MBTL3 (0.57) L3MBTL3L3MBTL1ALDH1A1MBTD1TP53BP1
SCHEMBL310165 0.74 L3MBTL1 (0.60) L3MBTL3L3MBTL1ALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-10-29 US disclosed
US-20190241532-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2019-08-08 US disclosed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US disclosed
US-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2019-04-11 US disclosed
US-9963452-B2 Methods, compounds, and compositions for inhibition of ROS AUGUSTA PHARMACEUTICALS INC. (US) 2018-05-08 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 (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-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 L3MBTL3 3797/4885L3MBTL1 3563/4885ADRB1 1388/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 L3MBTL3 3173/4885L3MBTL1 2990/4885ADRB1 1655/4885
US-20190241532-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD L3MBTL3 3147/4885L3MBTL1 2751/4885ADRB1 2766/4885
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 L3MBTL3 3173/4885L3MBTL1 2990/4885ADRB1 1655/4885

“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.