SCHEMBL7209038

SCHEMBL7209038

[CH2]CN(C)Cc1ccc(-c2ncccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.50
CLK4 Q9HAZ1 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HRH3 Q9Y5N1 2/20 0.39
PYCR1 P32322 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
NPC1 O15118 1/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
LSS P48449 1/20 0.35

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
SCHEMBL3242981 0.85 ADRB2 (0.49) ADRB2CLK4KDM4ETSHRNPSR1
SCHEMBL6270017 0.75 ADRB2 (0.63) ADRB2CLK4NPC1
SCHEMBL294657 0.73 ALDH1A1 (0.58) KDM4ETSHRPYCR1NPC1LMNA
SCHEMBL3245933 0.72 CLK4 (0.40) ADRB2CLK4KDM4ETSHRNPSR1
SCHEMBL6275261 0.72 ADRB2 (0.59) ADRB2CLK4KDM4ENPC1MAPT
SCHEMBL10162103 0.71 ADRB2 (0.63) ADRB2CLK4KDM4ETSHRPOLB
SCHEMBL11181366 0.71 PYCR1 (0.57) TSHRNPSR1HRH3PYCR1TAAR1
SCHEMBL10814136 0.70 PYCR1 (0.63) KDM4ETSHRPYCR1TAAR1LMNA
SCHEMBL3339451 0.70 PYCR1 (0.58) KDM4ETDP1PYCR1TAAR1NPC1
SCHEMBL10663042 0.70 PYCR1 (0.58) KDM4ETSHRPOLBPYCR1LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 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-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E ADRB2 4789/4885CLK4 3703/4885KDM4E 3/4885

“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.