SCHEMBL797960

SCHEMBL797960

CCOC(=O)NCCc1cn(Cc2ccc(OC)cc2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.61
▸ MTNR1A P48039 1/20 0.60
▸ MTNR1B P49286 1/20 0.60
▸ HTR6 P50406 1/20 0.59
▸ GLA P06280 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ TP53 P04637 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ CHRNB2 P17787 1/20 0.54
▸ CHRNA7 P36544 1/20 0.54
▸ CHRNA4 P43681 1/20 0.54
▸ HDAC6 Q9UBN7 4/20 0.53
▸ HDAC3 O15379 2/20 0.53
▸ HDAC1 Q13547 2/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC9 Q9UKV0 1/20 0.53
▸ CHRM1 P11229 1/20 0.53

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
SCHEMBL15471745 0.90 POLB (0.58) POLBMTNR1AMTNR1BHTR6KMT2A
SCHEMBL798123 0.84 KMT2A (0.55) POLBGLAKMT2ATP53MAPT
SCHEMBL13557134 0.82 HTR6 (0.67) POLBMTNR1AMTNR1BHTR6TP53
SCHEMBL7692305 0.77 CHRM1 (0.65) POLBMTNR1AMTNR1BHTR6CHRNB2
SCHEMBL1548594 0.77 CHRM1 (0.76) POLBTP53MAPTCHRM1
SCHEMBL8757568 0.77 HTR6 (0.73) POLBHTR6CHRNB2CHRNA7CHRNA4
SCHEMBL793998 0.76 GLA (1.00) GLAKMT2AMAPTHDAC6HDAC3
SCHEMBL3849188 0.74 CHRNB2 (0.58) POLBMTNR1AMTNR1BHTR6KMT2A
SCHEMBL8182990 0.74 PPARG (0.62) POLBMTNR1AMTNR1BHTR6CHRNB2
SCHEMBL8416383 0.74 MTNR1A (0.45) POLBMTNR1AMTNR1BHTR6KMT2A

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 9 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
CN-103108871-B 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2014-09-10 — — CN 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
CN-103108871-A 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2013-05-15 — — CN 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 POLB 1374/4885MTNR1A 910/4885MTNR1B 1131/4885

“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.

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