SCHEMBL240243

SCHEMBL240243

Fc1cc(Br)ccc1-c1noc(C2CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CNR2 P34972 6/20 0.45
HRH3 Q9Y5N1 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CASP3 P42574 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
SCHEMBL13926735 0.83 HDAC1 (0.45) NPC1RAB9AL3MBTL1CNR2HRH3
SCHEMBL2894690 0.76 NPC1 (0.45) NPC1RAB9AL3MBTL1CNR2HDAC1
SCHEMBL12478358 0.75 RAB9A (0.85) NPC1RAB9AL3MBTL1CA12CA1
SCHEMBL17148993 0.74 CA12 (0.61) NPC1RAB9AL3MBTL1CA12CA1
SCHEMBL27456340 0.72 NTRK1 (0.46) NPC1RAB9AL3MBTL1CYP1A2CYP3A4
SCHEMBL15464553 0.71 NPC1 (0.42) NPC1RAB9ACNR2HDAC1HDAC6
SCHEMBL13930939 0.70 NPC1 (0.52) NPC1RAB9ACASP3HTT
SCHEMBL27599347 0.70 NR1H4 (0.59) NPC1RAB9AL3MBTL1CNR2NR1H4
SCHEMBL31661776 0.70 KRAS (0.36) NPC1RAB9AL3MBTL1
SCHEMBL14061846 0.70 NPC1 (0.97) NPC1RAB9AL3MBTL1CNR2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748412-B2 Phenylalanine derivatives and their use as non-peptide GLP-1 receptor modulators ARGUSINA BIOSCIENCE INC. (KY) 2014-06-10 US disclosed
CN-102946882-A Phenylalanine derivatives and their use as non-peptide glp-1 receptor modulators ARGUSINA INC 2013-02-27 CN disclosed
EP-2531198-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS Argusina Inc. (US) 2012-12-12 EP disclosed
US-20120004198-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2012-01-05 US disclosed
WO-2011097300-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA, INC. (US) 2011-08-11 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 (1 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-20120004198-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, GPR119 NPC1 1239/4885RAB9A 2137/4885L3MBTL1 1654/4885

“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.