SCHEMBL5098259

SCHEMBL5098259

[CH2]CCCCCCCCCNCCCCCCC[CH2]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
CA12 O43570 3/20 0.42
CA2 P00918 3/20 0.42
CA4 P22748 3/20 0.42
CA6 P23280 3/20 0.42
CA5A P35218 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA5B Q9Y2D0 3/20 0.42
TSHR P16473 2/20 0.42
F13A1 P00488 2/20 0.42
ALOX15 P16050 2/20 0.42
CYP2C19 P33261 2/20 0.42
THPO P40225 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
CASP2 P42575 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL1230682 1.00 CYP1A2 (0.42) CYP1A2CA12CA2CA4CA6
SCHEMBL8764297 1.00 CYP1A2 (0.42) CYP1A2CA12CA2CA4CA6
SCHEMBL5098312 1.00 CYP1A2 (0.42) CYP1A2CA12CA2CA4CA6
SCHEMBL5094912 0.97 CYP1A2 (0.40) CYP1A2CA12CA2CA4CA6
SCHEMBL1230675 0.94 CYP1A2 (0.38) CYP1A2CA12CA2CA4CA6
SCHEMBL1064909 0.93 CYP1A2 (0.42) CYP1A2CA12CA2CA4CA6
SCHEMBL25317941 0.88 CA12 (0.58) CYP1A2CA12CA2CA4CA6
SCHEMBL25317738 0.88 CA12 (0.58) CYP1A2CA12CA2CA4CA6
SCHEMBL25320385 0.88 CA12 (0.58) CYP1A2CA12CA2CA4CA6
SCHEMBL25319285 0.88 CA12 (0.58) CYP1A2CA12CA2CA4CA6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628978-A2 TRIAZA-SPIRO COMPOUNDS AS NOCICEPTIN ANALOGUES AND USES THEREOF Zealand Pharma A/S (DK) 2006-03-01 EP claimed
WO-2004104004-A2 TRIAZA-SPIRO COMPOUNDS AS NOCICEPTIN ANALOGUES AND USES THEREOF ZEALAND PHARMA A/S (DK) 2004-12-02 WO claimed
US-20080287478-A1 Nociceptin Analogues and Uses Thereof ZEALAND PHARMA A/S (DK) 2008-11-20 US disclosed
EP-1628978-A2 TRIAZA-SPIRO COMPOUNDS AS NOCICEPTIN ANALOGUES AND USES THEREOF Zealand Pharma A/S (DK) 2006-03-01 EP disclosed
WO-2004104004-A2 TRIAZA-SPIRO COMPOUNDS AS NOCICEPTIN ANALOGUES AND USES THEREOF ZEALAND PHARMA A/S (DK) 2004-12-02 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-20080287478-A1 Nociceptin Analogues and Uses Thereof OPRL1, NPSR1, OPRK1 CYP1A2 4100/4885CA12 3686/4885CA2 1365/4885

“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.