SCHEMBL5983718

SCHEMBL5983718

O=C(O)[C@@H]1CCC[C@H]1C(=O)c1ccccc1-c1ccc(Nc2nc3ccccc3[nH]2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
DGAT1 O75907 4/20 0.45
NPC1 O15118 7/20 0.41
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
BDKRB1 P46663 1/20 0.41
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
DDX3X O00571 1/20 0.39
MEN1 O00255 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
AKR1C3 P42330 1/20 0.38

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
SCHEMBL5984327 0.88 DGAT1 (0.59) CYP1A2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL1748153 0.88 DGAT1 (0.59) CYP1A2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL1748064 0.78 DGAT1 (0.48) CYP1A2DGAT1NPC1RAB9ASMN1; SMN2
Bicarbonate SCHEMBL2310230 0.76 NPC1 (0.52) CYP1A2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL2306515 0.75 DGAT1 (0.55) CYP1A2DGAT1LMNA
SCHEMBL2307115 0.75 DGAT1 (0.61) CYP1A2DGAT1MEN1KMT2A
SCHEMBL2310394 0.75 CYP1A2 (0.58) CYP1A2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL2309237 0.75 CYP1A2 (0.58) CYP1A2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL2310397 0.75 CYP1A2 (0.58) CYP1A2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL6833103 0.74 DGAT1 (0.64) DGAT1NPC1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091228-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-15 US disclosed
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 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 (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-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC CYP1A2 98/4885DGAT1 34/4885NPC1 187/4885

“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.