SCHEMBL1727508

SCHEMBL1727508

CCCC[C@@H](N)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
IKBKB O14920 1/20 0.38
CFD P00746 1/20 0.37
GNRHR P30968 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
SLC2A1 P11166 1/20 0.35
CSNK1E P49674 1/20 0.35
BCDIN3D Q7Z5W3 3/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL1728815 1.00 IDO1 (0.39) IDO1TDO2IKBKBCFDGNRHR
SCHEMBL172519 0.89 IDO1 (0.41) IDO1TDO2CFDGNRHRBCDIN3D
SCHEMBL4672694 0.82 IDO1 (0.44) IDO1TDO2CFDGNRHRBCDIN3D
SCHEMBL1052412 0.81 IDO1 (0.39) IDO1TDO2CFDGNRHRL3MBTL1
SCHEMBL15705118 0.81 IDO1 (0.39) IDO1TDO2CFDGNRHRSIGMAR1
SCHEMBL25194111 0.81 IDO1 (0.39) IDO1TDO2CFDGNRHRSIGMAR1
SCHEMBL11885875 0.81 IDO1 (0.39) IDO1TDO2CFDGNRHRL3MBTL1
SCHEMBL11994152 0.81 CYP19A1 (0.43) IDO1TDO2L3MBTL1MEN1ALDH1A1
SCHEMBL1728822 0.80 IDO1 (0.40) IDO1TDO2L3MBTL1
SCHEMBL1727474 0.80 IDO1 (0.40) IDO1TDO2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160333381-A1 TRANSAMINASE REACTIONS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2016-11-17 US disclosed
US-9434968-B2 Transaminase reactions CODEXIS, INC. (US) 2016-09-06 US disclosed
US-20150079640-A1 TRANSAMINASE REACTIONS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-03-19 US disclosed
US-8921079-B2 Transaminase reactions CODEXIS, INC. (US) 2014-12-30 US disclosed
US-20120190085-A1 Transaminase Reactions CODEXIS, INC. (US) 2012-07-26 US disclosed
EP-1530562-B1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME CENTRAL GLASS CO LTD (JP) 2011-11-30 EP disclosed
US-7368609-B2 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same CENTRAL GLASS COMPANY, LIMITED (JP) 2008-05-06 US disclosed
US-20070142670-A1 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same CENTRAL GLASS CO., LTD. (JP) 2007-06-21 US disclosed
US-7186865-B2 Reacting optically active secondary amine with alkylation agent in presence of a base, thereby converting the secondary amine into an optically active tertiary amine and subjecting the tertiary amine to hydrogenolysis, producing the N-monoalkyl derivative; intermediates for drugs, agriculture CENTRAL GLASS COMPANY, LIMITED (JP) 2007-03-06 US disclosed
US-20040235961-A1 Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same CENTRAL GLASS COMPANY, LIMITED (JP) 2004-11-25 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 (2 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-20040235961-A1 Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same NAT1, PNMT, AFF1 IDO1 362/4885TDO2 262/4885IKBKB 3134/4885
US-20070142670-A1 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same NAT1, AFF1, PNMT IDO1 626/4885TDO2 405/4885IKBKB 3020/4885

“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.