SCHEMBL2539965

SCHEMBL2539965

c1ccc(CNc2cccc(C3OCCO3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.56
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOA P21397 1/20 0.43
METAP2 P50579 1/20 0.42
FFAR1 O14842 1/20 0.41
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
HDAC4 P56524 1/20 0.40
MEF2D Q14814 1/20 0.40
NR3C1 P04150 1/20 0.40

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
SCHEMBL509904 0.83 MEN1 (0.47) HTTFFAR1PTPN1PTPN11
SCHEMBL18002423 0.83 FFAR1 (0.46) HTR2CALDH1A1FFAR1
SCHEMBL16398807 0.81 TACR1 (0.43) HTR2CHTTALDH1A1SMN1; SMN2FFAR1
SCHEMBL6690772 0.76 HTT (0.57) HTR2CHTTMETAP2FFAR1PTPN1
SCHEMBL5492308 0.73 ROCK2 (0.52) ALDH1A1
SCHEMBL5283251 0.72 ALDH1A1 (0.44) HTTALDH1A1SMN1; SMN2
SCHEMBL13742582 0.72 HTR2C (0.97) HTR2C
SCHEMBL21153196 0.72 MEN1 (0.45) HTR2CMAOA
SCHEMBL21153234 0.72 CASR (0.40) SMN1; SMN2
Hydrochloric Acid SCHEMBL4127044 0.71 HTR2C (1.00) HTR2C

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 HTR2C 2/4885HTT 465/4885ALDH1A1 1218/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HTR2C 2/4885HTT 465/4885ALDH1A1 1218/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HTR2C 2/4885HTT 465/4885ALDH1A1 1218/4885

“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.