SCHEMBL11989937

SCHEMBL11989937

CCCC(c1ccccc1)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.58
OPRD1 P41143 5/20 0.58
OPRK1 P41145 5/20 0.58
OPRL1 P41146 5/20 0.58
KCNA5 P22460 1/20 0.46
SLC6A4 P31645 2/20 0.45
DPP4 P27487 1/20 0.45
LMNA P02545 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MC4R P32245 1/20 0.44

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
SCHEMBL1711539 0.86 OPRM1 (0.56) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL23682540 0.85 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL10598753 0.84 OPRM1 (0.63) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL13561473 0.84 P2RX7 (0.50) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL1303683 0.83 DPP4 (0.53) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL10601133 0.83 CYP1A2 (0.62) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL113896 0.83 CYP1A2 (0.62) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL12513620 0.81 MC4R (0.65) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL12508381 0.81 KCNA5 (0.48) OPRM1OPRD1OPRK1OPRL1KCNA5
SCHEMBL1667533 0.80 ALDH1A1 (0.49) KCNA5LMNAALDH1A1TSHRCYP3A4

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-9365552-B2 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2016-06-14 US disclosed
US-20150045364-A1 Pyridine and Pyrazine derivative for the Treatment of CF NOVARTIS AG (CH) 2015-02-12 US disclosed
US-20140135329-A1 Pyridine and Pyrazine derivative for the Treatment of CF BAETTIG URS (GB) 2014-05-15 US disclosed
US-20120277232-A1 Pyridine and Pyrazine Derivative for the Treatment of CF NOVARTIS AG 2012-11-01 US disclosed
US-8247436-B2 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2012-08-21 US disclosed
US-20110230483-A1 Pyridine and Pyrazine derivative for the Treatment of CF NOVARTIS AG 2011-09-22 US disclosed
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof AVALON PHARMACEUTICALS 2011-07-21 US disclosed
US-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 US disclosed
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof AVALON PHARMACEUTICALS 2009-02-05 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 (7 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-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF TP53, BCOR, HPGDS OPRM1 3986/4885OPRD1 4169/4885OPRK1 2836/4885
US-20110230483-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 OPRM1 11/4885OPRD1 3/4885OPRK1 2/4885
US-20120277232-A1 Pyridine and Pyrazine Derivative for the Treatment of CF CFTR, OPRK1, OPRD1 OPRM1 11/4885OPRD1 3/4885OPRK1 2/4885
US-20150045364-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 OPRM1 11/4885OPRD1 3/4885OPRK1 2/4885
US-20140135329-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 OPRM1 11/4885OPRD1 3/4885OPRK1 2/4885
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof HPGDS, HPGD, DPYD OPRM1 2073/4885OPRD1 779/4885OPRK1 980/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD OPRM1 2073/4885OPRD1 779/4885OPRK1 980/4885

“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.