SCHEMBL6487155

SCHEMBL6487155

N#Cc1ccc(C(N)=O)cn1.O=C(O)[C@@H]1CCCN1C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.42
HRH3 Q9Y5N1 3/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
PARP15 Q460N3 2/20 0.37
PARP10 Q53GL7 2/20 0.37
HCK P08631 2/20 0.36
FLT3 P36888 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MYC P01106 1/20 0.34

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
SCHEMBL1993840 0.74 GRM5 (0.58) GRM5PARP15PARP10ALDH1A1MYC
SCHEMBL6487152 0.74 NAMPT (0.48) ALDH1A1
Proline SCHEMBL8809342 0.72 GRM5 (0.43) GRM5JAK2JAK1PARP15PARP10
SCHEMBL15665698 0.71 CNR1 (0.42)
SCHEMBL4336856 0.71 CNR1 (0.42)
SCHEMBL1954186 0.71 CNR1 (0.42)
SCHEMBL9107688 0.70 ACE (0.41)
SCHEMBL1952767 0.70 ACE (0.41)
SCHEMBL6477307 0.69 CTSS (0.34) GRM5HRH3JAK2JAK1PARP15
SCHEMBL11098876 0.69 CNR2 (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0873356-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 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-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 GRM5 4448/4885HRH3 2499/4885JAK2 270/4885

“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.