SCHEMBL5885586

SCHEMBL5885586

CCOC(=O)CCC(=O)N(c1ccc(C#CCN(C)c2cccc(C(=N)N)c2)cc1C)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.37
F2 P00734 11/20 0.37
PRSS1 P07477 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACACB O00763 1/20 0.32
F9 P00740 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
AGTR2 P50052 1/20 0.30
LMNA P02545 1/20 0.30

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 SCHEMBL5885603 0.99 F10 (0.36) F10F2PRSS1SMN1; SMN2ACACB
SCHEMBL5885378 0.93 F2 (0.34) F10F2PRSS1ACACBF9
Hydrochloric Acid SCHEMBL5885784 0.92 F2 (0.34) F10F2PRSS1ACACBF9
SCHEMBL5885565 0.88 LMNA (0.42) F10F2PRSS1SMN1; SMN2ACACB
SCHEMBL5885133 0.87 EGLN1 (0.35) F10F2PRSS1SMN1; SMN2ACACB
Hydrochloric Acid SCHEMBL5885231 0.87 LMNA (0.41) F10F2PRSS1SMN1; SMN2ACACB
SCHEMBL5885276 0.87 GRM5 (0.34) SMN1; SMN2ACACBAGTR2LMNA
Hydrochloric Acid SCHEMBL5885911 0.87 EGLN1 (0.34) F10F2PRSS1SMN1; SMN2ACACB
SCHEMBL5885761 0.79 GRM5 (0.34) ACACBAGTR2LMNA
SCHEMBL5885581 0.79 F10 (0.32) F10F2PRSS1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404648-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-04-07 EP claimed
WO-2003101942-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-11 WO claimed
US-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-06 US claimed
US-7005437-B2 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2006-02-28 US disclosed
EP-1404648-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-04-07 EP disclosed
WO-2003101942-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-11 WO disclosed
US-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-06 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-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions F2, F12, F3 F10 16/4885F2 1/4885PRSS1 204/4885

“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.