SCHEMBL5773009

SCHEMBL5773009

CCCCCCCCCCCCC(N)=NO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.52
SPHK1 Q9NYA1 2/20 0.52
SPHK2 Q9NRA0 1/20 0.52
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
FAAH O00519 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
SOAT1 P35610 1/20 0.43
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
ALDH1A1 P00352 2/20 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
SCHEMBL12127825 1.00 CYP2D6 (0.52) CYP2D6SPHK1SPHK2MEN1KMT2A
SCHEMBL1854664 1.00 CYP2D6 (0.52) CYP2D6SPHK1SPHK2MEN1KMT2A
SCHEMBL6387164 1.00 CYP2D6 (0.52) CYP2D6SPHK1SPHK2MEN1KMT2A
SCHEMBL1855781 1.00 CYP2D6 (0.52) CYP2D6SPHK1SPHK2MEN1KMT2A
SCHEMBL15174081 1.00 CYP2D6 (0.52) CYP2D6SPHK1SPHK2MEN1KMT2A
SCHEMBL15174509 1.00 CYP2D6 (0.52) CYP2D6SPHK1SPHK2MEN1KMT2A
SCHEMBL1341663 1.00 CYP2D6 (0.52) CYP2D6SPHK1SPHK2MEN1KMT2A
SCHEMBL15174483 1.00 CYP2D6 (0.52) CYP2D6SPHK1SPHK2MEN1KMT2A
SCHEMBL22854103 1.00 CYP2D6 (0.52) CYP2D6SPHK1SPHK2MEN1KMT2A
SCHEMBL2405667 1.00 CYP2D6 (0.52) CYP2D6SPHK1SPHK2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688668-B2 Long chain base sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-06-27 US disclosed
US-20150210675-A1 LONG CHAIN BASE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2015-07-30 US disclosed
EP-2822548-A1 LONG CHAIN BASE SPHINGOSINE KINASE INHIBITORS University Of Virginia Patent Foundation (US) 2015-01-14 EP disclosed
WO-2013119946-A1 LONG CHAIN BASE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-08-15 WO disclosed
EP-1203767-B1 Heterocyclic-substituted alkylamide acat inhibitors WARNER LAMBERT CO (US) 2006-01-04 EP disclosed
EP-1203767-A1 Heterocyclic-substituted alkylamide acat inhibitors WARNER-LAMBERT COMPANY (US) 2002-05-08 EP disclosed
US-5693657-A USEFUL FOR TREATING HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1997-12-02 US disclosed
US-5646170-A ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1997-07-08 US disclosed
EP-0684945-A1 HETEROCYCLIC-SUBSTITUTED ALKYL AMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1995-12-06 EP disclosed
US-5441975-A Anticholesterol agent WARNER-LAMBERT COMPANY (US) 1995-08-15 US disclosed
US-5366987-A Enzyme inhibitors, anticholesterol WARNER-LAMBERT COMPANY (US) 1994-11-22 US disclosed
WO-1994019330-A1 HETEROCYCLIC-SUBSTITUTED ALKYL AMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-09-01 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-20150210675-A1 LONG CHAIN BASE SPHINGOSINE KINASE INHIBITORS SPHK1, SPHK2, SGPL1 CYP2D6 3912/4885SPHK1 1/4885SPHK2 2/4885

“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.