SCHEMBL2539977

SCHEMBL2539977

CCOC(=O)Nc1ccc(OC(F)(F)F)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
POLB P06746 3/20 0.58
GAA P10253 2/20 0.58
THRB P10828 1/20 0.58
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 2/20 0.49
KDR P35968 1/20 0.47
MCHR1 Q99705 1/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.42
HPGD P15428 3/20 0.41
NPC1 O15118 1/20 0.41
CRHBP P24387 1/20 0.41
RAB9A P51151 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL1984984 0.83 SMN1; SMN2 (0.49) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL10269783 0.82 POLB (0.54) ALDH1A1POLBGAATHRBSMN1; SMN2
SCHEMBL9475099 0.82 POLB (0.65) ALDH1A1POLBGAATHRBCYP1A2
SCHEMBL3567835 0.81 NLRP3 (0.50) ALDH1A1POLBGAATHRBCYP1A2
SCHEMBL11642079 0.80 CYP1A2 (0.73) ALDH1A1POLBGAACYP1A2CYP2C9
SCHEMBL10753431 0.79 CYP1A2 (0.58) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL5660190 0.78 THRB (0.61) ALDH1A1POLBGAATHRBKDR
SCHEMBL17046607 0.78 GAA (0.46) ALDH1A1POLBGAATHRBSMN1; SMN2
SCHEMBL17046610 0.78 GAA (0.46) ALDH1A1POLBGAATHRBSMN1; SMN2
SCHEMBL12848306 0.78 CYP1A2 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2

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 ALDH1A1 1218/4885POLB 4318/4885GAA 4200/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B ALDH1A1 1218/4885POLB 4318/4885GAA 4200/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B ALDH1A1 1218/4885POLB 4318/4885GAA 4200/4885

“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.