SCHEMBL793987

SCHEMBL793987

CCOC(=O)NCCc1cc(OC)ccc1F

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.63
KMT2A Q03164 1/20 0.63
MTNR1A P48039 4/20 0.49
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
MTNR1B P49286 3/20 0.45

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
SCHEMBL5981610 0.83 MTNR1A (0.48) MTNR1ACHRM2CHRM1CHRM3MTNR1B
SCHEMBL15471730 0.82 KMT2A (0.52) GLAKMT2A
SCHEMBL3169578 0.80 CHRM2 (0.49) CHRM2CHRM1CHRM3MTNR1B
SCHEMBL793998 0.77 GLA (1.00) GLAKMT2A
SCHEMBL28557186 0.77 MTNR1A (0.74) GLAKMT2AMTNR1AMTNR1B
SCHEMBL792125 0.76 GLA (0.70) GLAKMT2AMTNR1ACHRM2CHRM1
SCHEMBL8928099 0.76 MTNR1B (0.73) MTNR1AMTNR1B
SCHEMBL15467170 0.75 KMT2A (0.61) GLAKMT2A
SCHEMBL8928098 0.74 MTNR1A (0.63) MTNR1A
SCHEMBL8928102 0.74 MTNR1B (0.55) KMT2AMTNR1AMTNR1B

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 7 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-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
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO 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 GLA 2244/4885KMT2A 660/4885MTNR1A 910/4885

“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.