SCHEMBL15467970

SCHEMBL15467970

CCOC(=O)N[13CH2]Cc1ccccc1OC

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.68
MTNR1B P49286 1/20 0.68
KMT2A Q03164 4/20 0.62
MEN1 O00255 2/20 0.62
ALDH1A1 P00352 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HPGD P15428 2/20 0.59
GLA P06280 1/20 0.57
CNR1 P21554 1/20 0.55
TAAR1 Q96RJ0 1/20 0.53
NPC1 O15118 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA5A P35218 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51

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
SCHEMBL10286238 1.00 MTNR1A (0.68) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL11896371 0.84 MTNR1A (0.77) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL16039087 0.83 MTNR1A (0.51) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL14241869 0.82 MTNR1A (0.72) MTNR1AMTNR1BHPGDCNR1TAAR1
SCHEMBL1010724 0.81 MTNR1A (1.00) MTNR1AMTNR1BHPGDCNR1TAAR1
SCHEMBL8419482 0.81 MTNR1A (0.67) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL807757 0.81 HIF1A (0.54) KMT2AALDH1A1SMN1; SMN2HPGDGLA
SCHEMBL11306449 0.81 HDAC3 (0.52) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL10289223 0.81 MTNR1A (0.70) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL15468130 0.81 HIF1A (0.54) KMT2AALDH1A1SMN1; SMN2HPGDGLA

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-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 MTNR1A 910/4885MTNR1B 1131/4885KMT2A 660/4885

“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.