SCHEMBL2535943

SCHEMBL2535943

CC(C)c1ccc2c(c1)c(CCN)cn2OC(=O)C(=O)On1cc(CCN)c2cc(C(C)C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.44
ADRB2 P07550 1/20 0.40
HTR6 P50406 2/20 0.36
PTGES2 Q9H7Z7 5/20 0.35
PTGES O14684 4/20 0.35
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
HTR2A P28223 1/20 0.34
MEN1 O00255 3/20 0.34
USP2 O75604 3/20 0.34
TP53 P04637 3/20 0.34
CYP1A2 P05177 3/20 0.34
POLB P06746 3/20 0.34
CYP3A4 P08684 3/20 0.34
ALOX5 P09917 3/20 0.34
MAPT P10636 3/20 0.34
CYP2C9 P11712 3/20 0.34
HPGD P15428 3/20 0.34
ALOX15 P16050 3/20 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
SCHEMBL2540215 0.76 ADRB2 (0.47) HTR1DADRB2HTR6CYP1A2CYP2C9
SCHEMBL2539667 0.76 SCN9A (0.50) ADRB2HTR6
SCHEMBL3115183 0.75 HTR1A (0.52) HTR1DADRB2HTR2AMEN1TP53
SCHEMBL2539799 0.73 HTR6 (0.41) ADRB2HTR6HTR2AKMT2A
SCHEMBL2540170 0.72 TAAR1 (0.42) ADRB2HTR6HTR2A
SCHEMBL7094588 0.71 ADRB2 (0.60) HTR1DADRB2HTR6HTR2ACYP1A2
SCHEMBL5833264 0.70 HTR1A (0.49) HTR1DADRB2HTR2AMEN1TP53
SCHEMBL2533929 0.70 HTR6 (0.40) HTR6HTR2A
SCHEMBL2534426 0.70 CAMK2D (0.39) HTR1DHTR6HTR2ATBXAS1
SCHEMBL6830010 0.70 ADRB2 (0.58) HTR1DADRB2HTR6HTR2ACYP1A2

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 HTR1D 16/4885ADRB2 54/4885HTR6 1/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HTR1D 16/4885ADRB2 54/4885HTR6 1/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HTR1D 16/4885ADRB2 54/4885HTR6 1/4885

“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.