SCHEMBL2534426

SCHEMBL2534426

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.39
HTR1D P28221 1/20 0.38
TBXAS1 P24557 1/20 0.38
TAAR1 Q96RJ0 2/20 0.36
PTGER1 P34995 1/20 0.35
PTGER3 P43115 1/20 0.35
HTR6 P50406 5/20 0.35
EGFR P00533 1/20 0.35
IGF1R P08069 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
HTR2A P28223 1/20 0.34
AKR1A1 P14550 2/20 0.34
AKR1B1 P15121 2/20 0.34
IDO1 P14902 2/20 0.33
SCN9A Q15858 1/20 0.33
KIF11 P52732 1/20 0.33

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
SCHEMBL2539799 0.83 HTR6 (0.41) CAMK2DPTGER1HTR6HTR2AAKR1A1
SCHEMBL2533929 0.78 HTR6 (0.40) CAMK2DHTR6EGFRIGF1RFLT4
SCHEMBL2540215 0.76 ADRB2 (0.47) HTR1DHTR6EGFRIGF1RFLT4
SCHEMBL2540170 0.72 TAAR1 (0.42) TAAR1HTR6HTR2A
SCHEMBL4776240 0.72 HTR2A (0.48) HTR6HTR2AIDO1SCN9A
SCHEMBL24142883 0.71 NR1D1 (0.51) CAMK2DHTR1DTBXAS1HTR6
SCHEMBL2535943 0.70 HTR1D (0.44) HTR1DTBXAS1HTR6HTR2A
SCHEMBL2534429 0.69 HTR2A (0.39) TAAR1HTR6HTR2ASCN9A
SCHEMBL2535898 0.69 HTR2A (0.40) TAAR1HTR6HTR2ASCN9A
SCHEMBL2539667 0.68 SCN9A (0.50) HTR6EGFRIGF1RFLT4KDR

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 8 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

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 CAMK2D 1704/4885HTR1D 16/4885TBXAS1 866/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B CAMK2D 1704/4885HTR1D 16/4885TBXAS1 866/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B CAMK2D 1704/4885HTR1D 16/4885TBXAS1 866/4885

“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.