SCHEMBL4451691

SCHEMBL4451691

CCOC(=O)CNC(C)(C(=O)N1CCCC1)c1ccc2c(c1)nc(CNc1ccc(C#N)cc1)n2C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.64
F10 P00742 2/20 0.64
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
HDAC6 Q9UBN7 3/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NQO2 P16083 1/20 0.39
POLB P06746 1/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ITK Q08881 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4451687 1.00 F2 (0.64) F2F10NPC1RAB9APRSS1
SCHEMBL7415304 0.93 F2 (0.59) F2F10NPC1RAB9APRSS1
SCHEMBL7412689 0.92 F2 (0.56) F2F10NPC1RAB9APRSS1
SCHEMBL7096732 0.89 F2 (0.52) F2F10NPC1RAB9APRSS1
SCHEMBL4443593 0.88 F2 (0.83) F2F10NPC1RAB9APRSS1
SCHEMBL4443592 0.88 F2 (0.83) F2F10NPC1RAB9APRSS1
Hydrochloric Acid SCHEMBL7416618 0.87 F2 (0.82) F2F10NPC1RAB9APRSS1
SCHEMBL7413418 0.87 F2 (0.70) F2F10NPC1RAB9APRSS1
Hydrochloric Acid SCHEMBL7100978 0.87 F2 (0.82) F2F10NPC1RAB9APRSS1
SCHEMBL7420051 0.87 F2 (0.55) F2F10NPC1RAB9APRSS1

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-20090022686-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF SYSTEMIC INFLAMMATORY RESPONSE SYNDROME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-01-22 US disclosed
EP-1517687-B1 MEDICAMENT FOR THE TREATMENT OF THE SYSTEMIC INFLAMMATORY RESPONSE SYNDROME BOEHRINGER INGELHEIM PHARMA (DE) 2007-06-20 EP disclosed
US-20040023975-A1 Pharmaceutical compositions for the treatment of systemic inflammatory response syndrome BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-02-05 US disclosed
EP-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP disclosed
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 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 (2 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-20040023975-A1 Pharmaceutical compositions for the treatment of systemic inflammatory response syndrome IL5, TSLP, TLR5 F2 214/4885F10 1136/4885NPC1 4352/4885
US-20090022686-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF SYSTEMIC INFLAMMATORY RESPONSE SYNDROME IL5, TSLP, TLR5 F2 214/4885F10 1136/4885NPC1 4352/4885

“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.