SCHEMBL14733932

SCHEMBL14733932

Cc1cc2ncn(CCC(C)C)c2cc1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.71
LMNA P02545 3/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
GGPS1 O95749 1/20 0.56
FDPS P14324 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MAPT P10636 3/20 0.52
HTT P42858 3/20 0.52
TP53 P04637 1/20 0.52
KCNH2 Q12809 1/20 0.51
ALDH1A1 P00352 2/20 0.51
FABP6 P51161 1/20 0.48
P2RX7 Q99572 1/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
PLAA Q9Y263 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL20466314 0.83 POLB (1.00) POLBLMNAMEN1KMT2AGGPS1
SCHEMBL14021999 0.82 GGPS1 (0.55) POLBLMNAMEN1KMT2AGGPS1
SCHEMBL15779866 0.81 LMNA (0.81) POLBLMNAMEN1KMT2AGGPS1
SCHEMBL18250746 0.81 MAPT (0.46) POLBLMNAMEN1KMT2ANPC1
SCHEMBL18250719 0.81 POLB (0.46) POLBLMNAMEN1KMT2ANPC1
SCHEMBL1524043 0.79 LMNA (0.68) POLBLMNAMEN1KMT2AGGPS1
SCHEMBL30199049 0.79 LMNA (0.68) POLBLMNAMEN1KMT2AGGPS1
SCHEMBL29097793 0.79 LMNA (0.68) POLBLMNAMEN1KMT2AGGPS1
SCHEMBL20083654 0.79 LMNA (0.68) POLBLMNAMEN1KMT2AGGPS1
SCHEMBL9124586 0.79 LMNA (0.68) POLBLMNAMEN1KMT2AGGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748433-B2 β3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2014-06-10 US disclosed
US-20130053403-A1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2013-02-28 US disclosed
US-20130053403-A1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2013-02-28 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 (1 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-20130053403-A1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 POLB 2791/4885LMNA 1572/4885MEN1 4423/4885

“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.