SCHEMBL16248190

SCHEMBL16248190

CCCNC(=O)CCc1cccc(CC)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 2/20 0.46
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL16015433 0.88 NPSR1 (0.49) NPSR1HPGDMTNR1AMTNR1BKMT2A
SCHEMBL16015422 0.83 NPSR1 (0.46) NPSR1MTNR1AMTNR1BKCNH2
SCHEMBL14233697 0.83 NPSR1 (0.50) NPSR1HPGDMTNR1AMTNR1BKMT2A
SCHEMBL14234497 0.77 NPSR1 (0.44) NPSR1HPGDMTNR1AMTNR1BGAA
SCHEMBL10118215 0.76 KDM4E (0.47) NPSR1HPGDKMT2ATSHRKCNH2
SCHEMBL20109297 0.76 NPSR1 (0.46) NPSR1HPGDMTNR1AMTNR1BKMT2A
SCHEMBL23015742 0.76 PARP1 (0.47) NPSR1MTNR1AKCNH2ALDH1A1
SCHEMBL22098490 0.74 HPGD (0.57) HPGDMTNR1AMTNR1BGAAKMT2A
SCHEMBL14234496 0.74 NPSR1 (0.44) NPSR1HPGDMTNR1AMTNR1BGAA
SCHEMBL10082882 0.73 CHRNB2 (0.52) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343276-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-20 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-20140343276-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 NPSR1 3125/4885HPGD 2161/4885MTNR1A 4144/4885

“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.