SCHEMBL447615

SCHEMBL447615

Nc1ccc(C(OCCN2CCCCC2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LTA4H P09960 4/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
HRH3 Q9Y5N1 6/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
TBXA2R P21731 1/20 0.44
ACHE P22303 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 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
SCHEMBL464533 0.86 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2LTA4HHRH3CHRM2
SCHEMBL429374 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LTA4HPTGS1PTGS2
SCHEMBL6268349 0.78 LTA4H (0.44) ALDH1A1SMN1; SMN2LTA4HPTGS2HRH3
SCHEMBL20423878 0.75 NFE2L2 (0.55) MAOB
SCHEMBL18151593 0.73 MAPT (0.39) ALDH1A1KDM4EMEN1KMT2AMAOB
SCHEMBL16799608 0.73 NFE2L2 (0.44) MAOB
SCHEMBL3893600 0.72 RORC (0.46) ALDH1A1PTGS1KDM4EMEN1KMT2A
SCHEMBL18151415 0.71 CYP1A2 (0.41) ALDH1A1CHRM2HTR1ADRD3SLC6A3
SCHEMBL426819 0.70 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2LTA4HHRH3CHRM2
SCHEMBL23724061 0.70 LTA4H (0.87) LTA4HPTGS1PTGS2HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084784-B2 ROR-gamma modulators and uses thereof Piramal Enterprises Limited (IN) 2021-08-10 US disclosed
US-20180215707-A1 ROR-GAMMA MODULATORS AND USES THEREOF Piramal Enterprises Limited (IN) 2018-08-02 US disclosed
EP-3122721-A1 ROR-GAMMA MODULATORS AND USES THEREOF Piramal Enterprises Limited (IN) 2017-02-01 EP disclosed
WO-2015145371-A1 ROR-GAMMA MODULATORS AND USES THEREOF Piramal Enterprises Limited (IN) 2015-10-01 WO disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 EP disclosed
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 EP disclosed
US-20060040956-A1 Substituted alkylamine derivatives and methods of use CHEN GUOQING 2006-02-23 US disclosed
US-6995162-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2006-02-07 US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 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 (8 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC ALDH1A1 389/4885SMN1; SMN2 1447/4885LTA4H 500/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO ALDH1A1 261/4885SMN1; SMN2 2090/4885LTA4H 339/4885
US-11084784-B2 ROR-gamma modulators and uses thereof RORB, RORA, RORC ALDH1A1 902/4885SMN1; SMN2 1625/4885LTA4H 1638/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO ALDH1A1 327/4885SMN1; SMN2 1829/4885LTA4H 417/4885
US-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS ALDH1A1 326/4885SMN1; SMN2 2119/4885LTA4H 342/4885
US-20180215707-A1 ROR-GAMMA MODULATORS AND USES THEREOF RORB, RORA, RORC ALDH1A1 902/4885SMN1; SMN2 1625/4885LTA4H 1638/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC ALDH1A1 389/4885SMN1; SMN2 1447/4885LTA4H 500/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO ALDH1A1 261/4885SMN1; SMN2 2090/4885LTA4H 339/4885

“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.