SCHEMBL5885565

SCHEMBL5885565

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ACACB O00763 4/20 0.36
F2 P00734 2/20 0.33
PPARG P37231 1/20 0.33
NNMT P40261 3/20 0.33
PRSS1 P07477 1/20 0.33
F10 P00742 1/20 0.32
OPRM1 P35372 1/20 0.32
AGTR2 P50052 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GFER P55789 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PLG P00747 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 SCHEMBL5885231 0.99 LMNA (0.41) LMNAACACBF2PPARGNNMT
SCHEMBL5885133 0.91 EGLN1 (0.35) LMNAACACBF2PPARGPRSS1
Hydrochloric Acid SCHEMBL5885911 0.90 EGLN1 (0.34) LMNAACACBF2PPARGPRSS1
SCHEMBL5885378 0.89 F2 (0.34) LMNAACACBF2PPARGPRSS1
Hydrochloric Acid SCHEMBL5885784 0.88 F2 (0.34) LMNAACACBF2PPARGPRSS1
SCHEMBL5885586 0.88 F10 (0.37) LMNAACACBF2PRSS1F10
Hydrochloric Acid SCHEMBL5885603 0.87 F10 (0.36) ACACBF2PRSS1F10AGTR2
SCHEMBL5885804 0.85 LMNA (0.44) LMNAACACBPPARGOPRM1AGTR2
SCHEMBL5885837 0.83 LMNA (0.43) LMNAACACBF2PRSS1F10
Hydrochloric Acid SCHEMBL5885120 0.83 LMNA (0.42) LMNAACACBF2PRSS1F10

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 LMNA 947/4885ACACB 2639/4885F2 1/4885

“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.