SCHEMBL2539799

SCHEMBL2539799

NCCc1cn(OC(=O)C(=O)On2cc(CCN)c3ccc(F)cc32)c2cc(F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.41
HTR2A P28223 3/20 0.40
MPO P05164 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
HTR1A P08908 1/20 0.37
KMT2A Q03164 1/20 0.37
AKR1A1 P14550 1/20 0.36
AKR1B1 P15121 1/20 0.36
CAMK2D Q13557 1/20 0.36
ADRB2 P07550 1/20 0.35
CDK2 P24941 1/20 0.34
PLK1 P53350 1/20 0.33
ICMT O60725 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
SCN9A Q15858 1/20 0.33
PTGER1 P34995 1/20 0.32

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
SCHEMBL2534426 0.83 CAMK2D (0.39) HTR6HTR2AAKR1A1AKR1B1CAMK2D
SCHEMBL2533929 0.81 HTR6 (0.40) HTR6HTR2AAKR1A1AKR1B1CAMK2D
SCHEMBL2540170 0.78 TAAR1 (0.42) HTR6HTR2AADRB2
SCHEMBL2535898 0.74 HTR2A (0.40) HTR6HTR2AMPOSCN9A
SCHEMBL2534429 0.74 HTR2A (0.39) HTR6HTR2AMPOICMTSCN9A
SCHEMBL16597937 0.74 HTR2A (0.61) HTR6HTR2AMPOTRPM8HTR1A
SCHEMBL2540215 0.74 ADRB2 (0.47) HTR6HTR1AADRB2
SCHEMBL2535943 0.73 HTR1D (0.44) HTR6HTR2AKMT2AADRB2
Hydrochloric Acid SCHEMBL16598130 0.73 HTR2A (0.59) HTR6HTR2AMPOTRPM8HTR1A
SCHEMBL2539667 0.71 SCN9A (0.50) HTR6TRPM8AKR1A1AKR1B1ADRB2

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
EP-1859798-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2015-12-30 EP disclosed
US-8044090-B2 N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor ELI LILLY (US) 2011-10-25 US disclosed
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2009-12-10 US disclosed
EP-1859798-A1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2007-11-28 EP disclosed
EP-1379239-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2007-09-12 EP disclosed
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2007-05-03 US disclosed
US-7157488-B2 N-(2-Arylethyl) benzylamines as antagonists of the 5-HT6 receptor ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 US disclosed
EP-1379239-A2 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
WO-2002078693-A2 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-10-10 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 (3 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-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B HTR6 1/4885HTR2A 5/4885MPO 4217/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HTR6 1/4885HTR2A 5/4885MPO 4217/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HTR6 1/4885HTR2A 5/4885MPO 4217/4885

“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.