SCHEMBL7716016

SCHEMBL7716016

CC(=O)Oc1cc(OCCCCCOc2ccc(C(=N)N)cc2)ccc1C(=O)N(C(C)C)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.63
LTB4R2 Q9NPC1 1/20 0.57
PRMT1 Q99873 3/20 0.49
F2 P00734 3/20 0.49
ST14 Q9Y5Y6 3/20 0.49
PLAU P00749 2/20 0.49
PRMT5 O14744 1/20 0.49
SLC22A2 O15244 1/20 0.49
SLC22A1 O15245 1/20 0.49
TMPRSS2 O15393 1/20 0.49
PTP4A3 O75365 1/20 0.49
SLC22A3 O75751 1/20 0.49
F10 P00742 1/20 0.49
PLG P00747 1/20 0.49
S100B P04271 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
ADRA2A P08913 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
Hydrochloric Acid SCHEMBL8994959 0.89 LTB4R (0.73) LTB4RLTB4R2PRMT1F2ST14
SCHEMBL8589819 0.89 LTB4R (0.64) LTB4RLTB4R2PRMT1F2ST14
Hydrochloric Acid SCHEMBL8594024 0.88 LTB4R (0.63) LTB4RLTB4R2PRMT1F2ST14
SCHEMBL8593207 0.88 LTB4R (0.63) LTB4RLTB4R2PRMT1F2ST14
Hydrochloric Acid SCHEMBL8590611 0.88 LTB4R (0.63) LTB4RLTB4R2PRMT1F2ST14
SCHEMBL8589826 0.87 LTB4R (0.64) LTB4RLTB4R2PRMT1F2ST14
Hydrochloric Acid SCHEMBL8592018 0.87 LTB4R (0.62) LTB4RLTB4R2PRMT1F2ST14
SCHEMBL9189640 0.87 LTB4R (0.64) LTB4RLTB4R2PRMT1F2ST14
Hydrochloric Acid SCHEMBL9190239 0.86 LTB4R (0.63) LTB4RLTB4R2PRMT1F2ST14
SCHEMBL8590303 0.86 LTB4R (0.61) LTB4RLTB4R2PRMT1F2ST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380259-B2 SUCH AS CHRONIC BRONCHITIS, COMPOUNDS SUCH AS 4-(5-(4-(AMINOIMINOMETHYL)PHENOXY)PENTOXY)-2-HYDROXY-N,N-BIS-( 1-METHYLETHYL)BENZAMIDE (Z)-2-BUTENEDIOATE NOVARTIS AG (CH) 2002-04-30 US disclosed
US-20010000341-A1 Use of substituted amidino compounds in the treatment of chronic obstructive pulmonary disease NOVARTIS AG (CH) 2001-04-19 US disclosed
EP-1037617-A1 SUBSTITUTED AMIDINO COMPOUNDS IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE Novartis AG (CH) 2000-09-27 EP disclosed
WO-1999030695-A1 SUBSTITUTED AMIDINO COMPOUNDS IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE NOVARTIS AG (CH) 1999-06-24 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-20010000341-A1 Use of substituted amidino compounds in the treatment of chronic obstructive pulmonary disease HRH4, CBR1, ACOX1 LTB4R 159/4885LTB4R2 252/4885PRMT1 910/4885

“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.