SCHEMBL6476709

SCHEMBL6476709

CC(=O)OC(C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C#N)nc1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
F2 P00734 11/20 0.43
NAMPT P43490 1/20 0.41
PKM P14618 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
FKBP5 Q13451 1/20 0.38
F11 P03951 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
PLAT P00750 1/20 0.37
PRSS1 P07477 1/20 0.37

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
Acetic Acid SCHEMBL6484260 0.86 F2 (0.50) ALDH1A1F2NAMPTPKMCYP3A4
SCHEMBL6483096 0.86 F2 (0.53) ALDH1A1F2NAMPTPKMCYP3A4
SCHEMBL6485203 0.84 F2 (0.53) ALDH1A1F2PLATPRSS1
SCHEMBL8301494 0.82 F2 (0.48) ALDH1A1F2NAMPTPKMCYP3A4
SCHEMBL6487499 0.79 F2 (0.69) ALDH1A1F2
SCHEMBL6477306 0.79 ALDH1A1 (0.48) ALDH1A1F2NAMPTPKMCYP3A4
SCHEMBL6434787 0.78 F11 (0.63) ALDH1A1F2F11PRSS1
SCHEMBL7708377 0.78 F11 (0.63) ALDH1A1F2F11PRSS1
SCHEMBL6487152 0.76 NAMPT (0.48) ALDH1A1NAMPTPKMCYP3A4CYP2C19
SCHEMBL7050813 0.74 F2 (0.52) F2PRSS1

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 4 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

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 ALDH1A1 925/4885F2 5/4885NAMPT 2398/4885

“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.