SCHEMBL2540187

SCHEMBL2540187

COc1cc2c(C=O)c[nH]c2cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 1/20 0.55
HTR1A P08908 1/20 0.51
HTR2B P41595 1/20 0.49
MTNR1A P48039 2/20 0.46
MTNR1B P49286 1/20 0.44
CYP2A6 P11509 2/20 0.44
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
HASPIN Q8TF76 1/20 0.41
IMPDH2 P12268 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
ERN1 O75460 1/20 0.40
TUBB4A P04350 1/20 0.39

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
SCHEMBL29957402 0.94 ALDH1A1 (0.55) ALDH1A1KDM4ECYP1A2CYP2C19MAPT
SCHEMBL3034534 0.87 ALDH1A1 (0.61) ALDH1A1KDM4ECYP1A2CYP2C19MAPT
SCHEMBL31236307 0.84 ALDH1A1 (0.55) ALDH1A1KDM4ECYP1A2CYP2C19MAPT
SCHEMBL9732348 0.83 ALDH1A1 (0.56) ALDH1A1KDM4ECYP1A2CYP2C19MAPT
SCHEMBL186914 0.81 CYP2A6 (0.53) ALDH1A1KDM4ECYP1A2CYP2C19MAPT
SCHEMBL29953126 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ECYP1A2CYP2C19MAPT
SCHEMBL2536514 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ECYP1A2CYP2C19MAPT
SCHEMBL2539777 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ECYP1A2CYP2C19MAPT
SCHEMBL2540148 0.79 HTR1A (0.44) ALDH1A1KDM4ECYP1A2CYP2C19MAPT
SCHEMBL2540150 0.79 HTR1A (0.44) ALDH1A1KDM4ECYP1A2CYP2C19MAPT

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 23 patents — showing the first 20. 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-7208505-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-04-24 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
EP-1421078-B1 INDOLE DERIVATIVES AS BETA-3 ADRENERGIC AGONISTS FOR THE TREATMENT OF TYPE 2 DIABETES LILLY CO ELI (US) 2006-09-27 EP disclosed
US-7087635-B2 3-substituted oxindole β3 agonists ELI LILLY AND COMPANY (US) 2006-08-08 US disclosed
US-6911463-B2 3-substituted oxindole β-3 agonists ELI LILLY AND COMPANY (US) 2005-06-28 US disclosed
US-20050080110-A1 Beta 3 adrenergic agonists SALL DANIEL JON (US) 2005-04-14 US disclosed
US-20040242668-A1 3-substituted oxindole beta-3 agonists SALL DANIEL JON (US) 2004-12-02 US disclosed
EP-1444224-A2 3-SUBSTITUTED OXINDOLE BETA-3 AGONISTS ELI LILLY AND COMPANY (US) 2004-08-11 EP disclosed
EP-1421078-A1 BETA-3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2004-05-26 EP 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-2003016307-A1 β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-02-27 WO disclosed
WO-2003016276-A2 3-SUBSTITUTED OXINDOLE BETA-3 AGONISTS ELI LILLY AND COMPANY (US) 2003-02-27 WO 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
WO-1992007829-A1 INDOLE-3-METHANAMINES USEFUL AS ANTI-DIABETIC, ANTI-OBESITY AND ANTI-ATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1992-05-14 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 (4 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-20040242668-A1 3-substituted oxindole beta-3 agonists ADRB3, ADRB2, ADRB1 ALDH1A1 639/4885KDM4E 3972/4885CYP1A2 417/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B ALDH1A1 1218/4885KDM4E 1970/4885CYP1A2 530/4885
US-20050080110-A1 Beta 3 adrenergic agonists ADRB3, ADRB2, ADRB1 ALDH1A1 396/4885KDM4E 3778/4885CYP1A2 510/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B ALDH1A1 1218/4885KDM4E 1970/4885CYP1A2 530/4885

“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.