SCHEMBL12435655

SCHEMBL12435655

CC(C)(C)CC(O)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.46
CFTR P13569 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GOPC Q9HD26 1/20 0.44
KCNN4 O15554 2/20 0.44
KCNA5 P22460 2/20 0.44
ADRB3 P13945 4/20 0.43
CYP17A1 P05093 1/20 0.42
TSHR P16473 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
SCHEMBL13114816 0.83 SMN1; SMN2 (0.45) SMN1; SMN2LMNAL3MBTL1GAACFTR
SCHEMBL21009583 0.79 LMNA (0.57) SMN1; SMN2LMNAL3MBTL1GAACFTR
SCHEMBL7952831 0.79 LMNA (0.57) SMN1; SMN2LMNAL3MBTL1GAACFTR
SCHEMBL32346286 0.79 LMNA (0.57) SMN1; SMN2LMNAL3MBTL1GAACFTR
SCHEMBL1579049 0.79 LMNA (0.57) SMN1; SMN2LMNAL3MBTL1GAACFTR
SCHEMBL22268391 0.79 CFTR (0.44) SMN1; SMN2LMNAL3MBTL1GAACFTR
Hydrochloric Acid SCHEMBL5448253 0.78 LMNA (0.55) SMN1; SMN2LMNAL3MBTL1GAACFTR
SCHEMBL13114805 0.78 SMN1; SMN2 (0.45) SMN1; SMN2LMNAL3MBTL1GAAADRB3
SCHEMBL14168820 0.77 SMN1; SMN2 (0.43) SMN1; SMN2LMNAL3MBTL1GAACFTR
SCHEMBL25233552 0.77 SMN1; SMN2 (0.57) SMN1; SMN2LMNAL3MBTL1GAACFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428448-B2 Compounds and methods of treating obesity YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2016-08-30 US disclosed
US-20140309273-A1 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2014-10-16 US disclosed
US-20130184303-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 US disclosed
US-20110178151-A1 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW (IL) 2011-07-21 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 (3 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-20140309273-A1 COMPOUNDS AND METHODS OF TREATING OBESITY FABP4, LIPC, GPR119 SMN1; SMN2 2751/4885LMNA 1916/4885L3MBTL1 4099/4885
US-20130184303-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C SMN1; SMN2 2610/4885LMNA 4584/4885L3MBTL1 4369/4885
US-20110178151-A1 COMPOUNDS AND METHODS OF TREATING OBESITY GPR119, FABP4, LIPC SMN1; SMN2 3157/4885LMNA 2295/4885L3MBTL1 4450/4885

“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.