SCHEMBL73995

SCHEMBL73995

CC(CO)Oc1ccccc1CCCN

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
HRH1 P35367 1/20 0.39
ADRB2 P07550 5/20 0.39
ADRB1 P08588 5/20 0.39
CHRM2 P08172 1/20 0.35
MPO P05164 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
AOC3 Q16853 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL74606 1.00 TAAR1 (0.45) TAAR1HRH1ADRB2ADRB1CHRM2
SCHEMBL10056778 1.00 TAAR1 (0.45) TAAR1HRH1ADRB2ADRB1CHRM2
SCHEMBL9882960 0.87 TAAR1 (0.47) TAAR1HRH1ADRB2ADRB1CHRM2
SCHEMBL74307 0.86 THRA (0.43) ADRB2ADRB1HTR1AADRA2AADRA2B
SCHEMBL73798 0.86 THRA (0.43) ADRB2ADRB1HTR1AADRA2AADRA2B
SCHEMBL12090288 0.86 THRA (0.43) ADRB2ADRB1HTR1AADRA2AADRA2B
SCHEMBL14092096 0.84 THRA (0.49) ADRB2ADRB1HTR1AADRA2AADRA2B
SCHEMBL8796327 0.83 TAAR1 (0.38) TAAR1
SCHEMBL22397181 0.83 TAAR1 (0.38) TAAR1
SCHEMBL1470815 0.83 TAAR1 (0.50) TAAR1HRH1ADRB2ADRB1CHRM2

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-8129561-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2012-03-06 US disclosed
US-8129561-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2012-03-06 US disclosed
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-05-28 US disclosed
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-05-28 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-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 TAAR1 637/4885HRH1 115/4885ADRB2 488/4885

“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.