SCHEMBL5885887

SCHEMBL5885887

Cc1cc(C#CCOc2cccc(C(=N)N)c2)ccc1C(=O)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.52
PRSS1 P07477 8/20 0.52
ACACB O00763 1/20 0.44
EGLN1 Q9GZT9 1/20 0.42
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PRSS2 P07478 1/20 0.40
C1S P09871 1/20 0.40
PRSS3 P35030 1/20 0.40

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 SCHEMBL5886177 0.99 F10 (0.52) F10PRSS1ACACBEGLN1MEN1
SCHEMBL5885408 0.86 ACACB (0.46) ACACBEGLN1MEN1GAAHTT
SCHEMBL5885702 0.82 ACACB (0.46) F10PRSS1ACACBHTTKMT2A
Hydrochloric Acid SCHEMBL5886024 0.81 ACACB (0.46) F10PRSS1ACACBHTTKMT2A
SCHEMBL5885319 0.81 ACACB (0.43) F10PRSS1ACACBHTTTPSAB1
Hydrochloric Acid SCHEMBL5886010 0.80 ACACB (0.42) F10PRSS1ACACBHTTTPSAB1
SCHEMBL5885762 0.79 ACACB (0.44) F10PRSS1ACACBHTTTPSAB1
Hydrochloric Acid SCHEMBL5885862 0.79 ACACB (0.43) F10PRSS1ACACBTPSAB1TPSD1
SCHEMBL5885690 0.78 ACACB (0.41) F10PRSS1ACACBF2PRSS2
SCHEMBL6561958 0.78 ACACB (0.49) F10PRSS1ACACBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 16/4885PRSS1 204/4885ACACB 2639/4885

“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.