SCHEMBL2535693

SCHEMBL2535693

CCCC(=O)Nc1ccc2[nH]ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.61
NOTUM Q6P988 1/20 0.58
MAOB P27338 2/20 0.57
MAOA P21397 3/20 0.57
EGFR P00533 1/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
MAPT P10636 3/20 0.56
TP53 P04637 1/20 0.53
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL16596187 0.89 EPHX1 (0.70) EPHX1NOTUMMAOBMAOAEGFR
SCHEMBL2535295 0.88 NOTUM (0.61) EPHX1NOTUMMAOBMAOAEGFR
SCHEMBL9705403 0.83 MAOB (0.55) EPHX1NOTUMMAOBMAOAEGFR
SCHEMBL1948423 0.82 MAOB (0.64) EPHX1NOTUMMAOBMAOAEGFR
SCHEMBL12821719 0.81 RAB9A (0.61) NOTUMMAOBMAOANPC1RAB9A
SCHEMBL5177372 0.80 MAOB (0.83) EPHX1NOTUMMAOBMAOANPC1
SCHEMBL7441657 0.79 HDAC1 (0.83) EPHX1NOTUMMAOBMAOAEGFR
SCHEMBL22803696 0.79 NPC1 (0.67) EPHX1MAOBMAOANPC1RAB9A
SCHEMBL9478935 0.79 HDAC1 (0.72) EPHX1NOTUMMAOANPC1RAB9A
SCHEMBL13675992 0.79 TRPV1 (0.57) EPHX1NOTUMMAOBMAOANPC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751851-B2 Molecules and compositions that inhibit gram negative bacteria and their uses THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-05 US disclosed
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 EPHX1 1705/4885NOTUM 1740/4885MAOB 93/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B EPHX1 1705/4885NOTUM 1740/4885MAOB 93/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B EPHX1 1705/4885NOTUM 1740/4885MAOB 93/4885

“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.