SCHEMBL6778069

SCHEMBL6778069

OCCCC1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
OPRM1 P35372 7/20 0.48
OPRK1 P41145 5/20 0.48
OPRL1 P41146 5/20 0.48
ALDH1A1 P00352 1/20 0.47
DPP4 P27487 1/20 0.46
OPRD1 P41143 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2D6 P10635 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
DRD1 P21728 1/20 0.45
ADRA1D P25100 1/20 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
SCHEMBL5390527 0.95 L3MBTL3 (0.49) L3MBTL3L3MBTL1OPRM1OPRK1OPRL1
Hydrochloric Acid SCHEMBL5397422 0.94 L3MBTL3 (0.48) L3MBTL3L3MBTL1OPRM1OPRK1OPRL1
SCHEMBL8473380 0.90 L3MBTL3 (0.53) L3MBTL3L3MBTL1OPRM1OPRK1OPRL1
SCHEMBL3457813 0.84 L3MBTL3 (0.50) L3MBTL3L3MBTL1OPRM1OPRK1OPRL1
SCHEMBL6776735 0.84 L3MBTL3 (0.50) L3MBTL3L3MBTL1OPRM1OPRK1OPRL1
SCHEMBL13597015 0.84 DPP4 (0.63) L3MBTL3L3MBTL1OPRM1OPRK1OPRL1
SCHEMBL7972891 0.83 L3MBTL3 (0.56) L3MBTL3L3MBTL1OPRM1OPRK1OPRL1
SCHEMBL3457628 0.83 L3MBTL3 (0.49) L3MBTL3L3MBTL1OPRM1OPRK1OPRL1
SCHEMBL13597027 0.83 DPP4 (0.58) L3MBTL3L3MBTL1OPRM1OPRK1OPRL1
SCHEMBL3629712 0.83 L3MBTL3 (0.49) L3MBTL3L3MBTL1OPRM1OPRK1OPRL1

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
US-20040029861-A1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression KLINGE PHARMA GMBH 2004-02-12 US disclosed
EP-0912176-B1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION FUJISAWA DEUTSCHLAND GMBH (DE) 2002-09-25 EP disclosed
US-6451816-B1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression KLINGE PHARMA GMBH (DE) 2002-09-17 US disclosed
EP-0912176-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION Klinge Pharma GmbH (DE) 1999-05-06 EP disclosed
WO-1997048397-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION KLINGE PHARMA GMBH (DE) 1997-12-24 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-20040029861-A1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression ALK, IDO1, PDXK L3MBTL3 3545/4885L3MBTL1 2726/4885OPRM1 2450/4885

“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.