SCHEMBL7589893

SCHEMBL7589893

CCCCC(=O)c1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
DAGLA Q9Y4D2 1/20 0.41
HSD17B3 P37058 1/20 0.41
HTR7 P34969 1/20 0.40
FAAH O00519 4/20 0.39
CES1 P23141 1/20 0.39
TBXAS1 P24557 2/20 0.39
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL972824 0.95 DAGLA (0.46) NPC1RAB9ADAGLAHSD17B3FAAH
SCHEMBL28846272 0.93 DAGLA (0.48) DAGLAHSD17B3FAAHCES1TBXAS1
SCHEMBL31740471 0.93 DAGLA (0.48) DAGLAHSD17B3FAAHCES1TBXAS1
SCHEMBL1960318 0.93 DAGLA (0.48) DAGLAHSD17B3FAAHCES1TBXAS1
SCHEMBL6518862 0.93 DAGLA (0.48) DAGLAHSD17B3FAAHCES1TBXAS1
SCHEMBL4186060 0.93 DAGLA (0.48) DAGLAHSD17B3FAAHCES1TBXAS1
SCHEMBL2916184 0.93 DAGLA (0.48) DAGLAHSD17B3FAAHCES1TBXAS1
SCHEMBL10618776 0.93 DAGLA (0.48) DAGLAHSD17B3FAAHCES1TBXAS1
SCHEMBL2913100 0.93 DAGLA (0.48) DAGLAHSD17B3FAAHCES1TBXAS1
SCHEMBL7574578 0.89 NPC1 (0.46) NPC1RAB9AHSD17B3TBXAS1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101228174-A Crystalline sugar compositions and method of making AMICUS THERAPEUTICS INC (US) 2008-07-23 CN disclosed
US-6458963-B1 REGIOSELECTIVE PROTECTION OF 2-N-BUTYLFORMYLIMIDAZOLE; PRODUCT REACTED WITH (2-THIENYLMETHYL)-PROPANEDIOIC ACID, MONO-C1-4ALKYL ESTER; 3) QUATERNARY SALT FORMATION, FOLLOWED BY A BASIC WORK-UP AND AN ACIDIFICATION SMITHKLINE BEECHAM CORPORATION 2002-10-01 US disclosed
US-20020028951-A1 Process for preparing eprosartan SMITHKLINE BEECHAM CORPORATION 2002-03-07 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-20020028951-A1 Process for preparing eprosartan EPOR, NPPA, EDNRA NPC1 2928/4885RAB9A 1652/4885DAGLA 2865/4885

“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.