SCHEMBL408684

SCHEMBL408684

NC(=O)C1CCCN1Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.71
SCN3A Q9NY46 1/20 0.61
MAOA P21397 3/20 0.60
MAOB P27338 3/20 0.60
POLB P06746 1/20 0.58
NPSR1 Q6W5P4 1/20 0.55
PDCD1 Q15116 1/20 0.52
CD274 Q9NZQ7 1/20 0.52
CCR4 P51679 1/20 0.50
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
OPRL1 P41146 2/20 0.47
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
MCHR1 Q99705 1/20 0.47
CYP2C19 P33261 1/20 0.47
CNR2 P34972 1/20 0.46
ACE P12821 1/20 0.46

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
SCHEMBL5154674 1.00 SPHK1 (0.71) SPHK1SCN3AMAOAMAOBPOLB
SCHEMBL408685 1.00 SPHK1 (0.71) SPHK1SCN3AMAOAMAOBPOLB
Hydrochloric Acid SCHEMBL28533309 0.98 SPHK1 (0.70) SPHK1SCN3AMAOAMAOBPOLB
Hydrochloric Acid SCHEMBL4368428 0.98 SPHK1 (0.70) SPHK1SCN3AMAOAMAOBPOLB
SCHEMBL4723427 0.95 SPHK1 (0.66) SPHK1SCN3AMAOAMAOBPOLB
SCHEMBL16714052 0.90 SPHK1 (0.60) SPHK1SCN3AMAOAMAOBPOLB
SCHEMBL3399606 0.89 SPHK1 (0.58) SPHK1SCN3AMAOAMAOBPOLB
SCHEMBL2592830 0.89 SPHK1 (0.58) SPHK1SCN3AMAOAMAOBPOLB
SCHEMBL3055319 0.89 SPHK1 (0.58) SPHK1SCN3AMAOAMAOBPOLB
SCHEMBL1819248 0.87 CYP1A2 (0.60) SPHK1NPSR1PDCD1CD274CCR4

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612387-B2 RAS inhibitors and methods of using the same JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2026-04-28 US disclosed
US-20230339910-A1 RAS INHIBITORS AND METHODS OF USING THE SAME JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-10-26 US disclosed
EP-4097095-A1 RAS INHIBITORS AND METHODS OF USING THE SAME Jazz Pharmaceuticals Ireland Limited (IE) 2022-12-07 EP disclosed
US-11124482-B2 C-met modulators and methods of use EXELIXIS, INC. (US) 2021-09-21 US disclosed
US-20210253530-A9 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. 2021-08-19 US disclosed
WO-2021152149-A1 RAS INHIBITORS AND METHODS OF USING THE SAME JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2021-08-05 WO disclosed
US-20200331860-A1 C-Met Modulators and Methods of Use EXELIXIS INC (US) 2020-10-22 US disclosed
US-10246462-B2 Chemokine receptor modulators and uses thereof FLX BIO, INC. (US) 2019-04-02 US disclosed
US-10246462-B2 Chemokine receptor modulators and uses thereof FLX BIO, INC. (US) 2019-04-02 US disclosed
WO-2018049271-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF FLX BIO, INC. (US) 2018-03-15 WO disclosed
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 US disclosed
US-20110077233-A1 C-Met Modulators and Method of Use EXELIXIS, INC. (US) 2011-03-31 US disclosed
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA EXELIXIS, INC. (US) 2010-08-19 US disclosed
US-7579473-B2 N-(4-{[7-{[3-(diethylamino)propyl] oxy}-6-(methyloxy) quinazolin-4-yl]oxy}-3- fluorophenyl)-N'-(4- fluorophenyl) cyclopropane-1,1-dicarboxamide; for modulating protein kinase enzymatic activity for modulating cell activities such as proliferation, differentiation, programmed cell death EXELIXIS, INC. (US) 2009-08-25 US disclosed
US-20090170896-A1 c-Met modulators and methods of use EXELIXIS, INC. (US) 2009-07-02 US disclosed
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE EXELIXIS, INC (US) 2009-04-23 US disclosed
WO-2008016811-A2 AMINOPIPERIDINES AND REALTED COMPOUNDS NEUROGEN CORPORATION (US) 2008-02-07 WO disclosed
US-20070244116-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2007-10-18 US disclosed
US-20070225307-A1 C-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2007-09-27 US disclosed
US-20070054928-A1 c-Met modulators and methods of use EXELIXIS, INC. (US) 2007-03-08 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 (14 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-20200331860-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET SPHK1 1186/4885SCN3A 2576/4885MAOA 1998/4885
US-20070054928-A1 c-Met modulators and methods of use FLT4, FLT1, MET SPHK1 1186/4885SCN3A 2576/4885MAOA 1998/4885
US-10246462-B2 Chemokine receptor modulators and uses thereof ACKR3, CCR5, CXCR3 SPHK1 474/4885SCN3A 4418/4885MAOA 3993/4885
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K SPHK1 349/4885SCN3A 1272/4885MAOA 4716/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K SPHK1 383/4885SCN3A 889/4885MAOA 4707/4885
US-20210253530-A9 C-MET MODULATORS AND METHODS OF USE FLT4, FLT1, MET SPHK1 1186/4885SCN3A 2576/4885MAOA 1998/4885
US-12612387-B2 RAS inhibitors and methods of using the same KRAS, NRAS, HRAS SPHK1 3768/4885SCN3A 772/4885MAOA 4688/4885
US-20230339910-A1 RAS INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS SPHK1 2810/4885SCN3A 3927/4885MAOA 4645/4885
US-20090170896-A1 c-Met modulators and methods of use FLT4, MET, FLT1 SPHK1 882/4885SCN3A 2728/4885MAOA 2680/4885
US-20070225307-A1 C-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 SPHK1 846/4885SCN3A 2845/4885MAOA 2411/4885
US-20070244116-A1 c-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 SPHK1 846/4885SCN3A 2845/4885MAOA 2411/4885
US-11124482-B2 C-met modulators and methods of use FLT4, FLT1, MET SPHK1 1186/4885SCN3A 2576/4885MAOA 1998/4885
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE FLT4, MET, FLT1 SPHK1 882/4885SCN3A 2728/4885MAOA 2680/4885
US-20110077233-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 SPHK1 846/4885SCN3A 2845/4885MAOA 2411/4885

“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.