SCHEMBL4556504

SCHEMBL4556504

COc1ccccc1CCNCC(N)=O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.61
MTNR1B P49286 1/20 0.61
MPO P05164 2/20 0.58
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA5A P35218 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
TAAR1 Q96RJ0 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 1/20 0.50
CNR1 P21554 1/20 0.50
HPGD P15428 1/20 0.50
NR3C2 P08235 1/20 0.49

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
SCHEMBL15637306 0.86 MTNR1A (0.63) MTNR1AMTNR1BMPOCA12CA1
SCHEMBL9542720 0.86 MTNR1A (0.63) MTNR1AMTNR1BMPOCA12CA1
SCHEMBL1255872 0.84 NPSR1 (0.56) KDM4EALDH1A1KMT2AHPGD
SCHEMBL9776122 0.83 MTNR1A (0.49) MTNR1AMTNR1BMPOCA12CA1
SCHEMBL9776110 0.83 MTNR1A (0.49) MTNR1AMTNR1BMPOCA12CA1
SCHEMBL9776079 0.83 MTNR1A (0.49) MTNR1AMTNR1BMPOCA12CA1
SCHEMBL6234780 0.83 HTR1A (0.47) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL9776051 0.83 MTNR1A (0.49) MTNR1AMTNR1BMPOCA12CA1
SCHEMBL21243265 0.82 MPO (0.70) MTNR1AMTNR1BMPOCA12CA1
SCHEMBL14893135 0.81 MTNR1A (0.74) MTNR1AMTNR1BCA12CA1CA2

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-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS CONSEJO SUPERIOR DE (ES) 2009-12-03 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-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS BAX, BCL2, CASP3 MTNR1A 3144/4885MTNR1B 3090/4885MPO 1213/4885

“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.