SCHEMBL2533899

SCHEMBL2533899

COc1c(F)cc2c(c(CCN)cn2C)c1F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.48
HTR2A P28223 10/20 0.41
HTR1D P28221 2/20 0.39
CYP1A2 P05177 1/20 0.38
HTR2C P28335 6/20 0.37
HTR1A P08908 1/20 0.37
TAAR1 Q96RJ0 6/20 0.35
HTR2B P41595 3/20 0.35
ADRA1A P35348 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
SCHEMBL2535524 0.79 HTR2A (0.34) ADRB2HTR2ACYP1A2HTR2CTAAR1
SCHEMBL718130 0.73 CYP1A2 (0.47) HTR2ACYP1A2HTR2CTAAR1HTR2B
SCHEMBL2534461 0.72 ALDH1A1 (0.44) HTR1D
SCHEMBL5947220 0.72 BCHE (0.43) ADRB2HTR2AHTR2C
SCHEMBL13319623 0.71 HTR2A (0.43) ADRB2HTR2AHTR1DHTR2CHTR1A
SCHEMBL10446436 0.70 CYP1A2 (0.47) HTR2ACYP1A2HTR2CTAAR1HTR2B
SCHEMBL2535894 0.70 HTR2A (0.50) HTR2AHTR1DCYP1A2HTR2CHTR1A
SCHEMBL11489322 0.68 HTR2A (0.46) ADRB2HTR2AHTR1DHTR2CHTR1A
SCHEMBL18543623 0.66 CYP1A2 (0.51) HTR2ACYP1A2HTR2CTAAR1HTR2B
SCHEMBL27668305 0.66 MEP1B (0.47) HTR2ACYP1A2HTR2CTAAR1HTR2B

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 ADRB2 54/4885HTR2A 5/4885HTR1D 16/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B ADRB2 54/4885HTR2A 5/4885HTR1D 16/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B ADRB2 54/4885HTR2A 5/4885HTR1D 16/4885

“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.