SCHEMBL7664228

SCHEMBL7664228

O=C(O)CC1CCN(CC2CC(c3ccc(C=NNCc4ccccc4)cc3)NO2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.38
▸ DGAT1 O75907 2/20 0.36
▸ CXCR4 P61073 2/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL7671091 0.92 ACHE (0.37) ACHEDGAT1LTA4HSIGMAR1TMEM97
SCHEMBL7674108 0.89 ACHE (0.35) ACHEDGAT1LTA4HMAPT
SCHEMBL7666063 0.88 ACHE (0.35) ACHEPOLBNPC1MAPTRAB9A
SCHEMBL7672196 0.87 ACHE (0.34) ACHEDGAT1
SCHEMBL7525919 0.86 ACHE (0.42) ACHEPOLBNPC1MAPTRAB9A
SCHEMBL7666232 0.86 ALDH1A1 (0.34) ACHEDGAT1
SCHEMBL7666305 0.82 SMN1; SMN2 (0.36) DGAT1POLBNPC1MAPTRAB9A
SCHEMBL7666071 0.81 SMN1; SMN2 (0.37) LTA4HPOLBNPC1RAB9A
SCHEMBL7529247 0.81 THRB (0.37) ACHEPOLBNPC1MAPTRAB9A
SCHEMBL7378338 0.81 MEN1 (0.40) DGAT1SIGMAR1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455560-B1 SUBSTITUTED (1-((3-ISOXAZOLIN-5-YL)CARBONYL/METHYL) -4-PIPERIDINYL) ACETIC ACID FOR USE IN INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND FOR INHIBITING THE AGGREGATION OF BLOOD PLATELETS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-24 — — US claimed
US-20020082253-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-27 — — US claimed
US-6455560-B1 SUBSTITUTED (1-((3-ISOXAZOLIN-5-YL)CARBONYL/METHYL) -4-PIPERIDINYL) ACETIC ACID FOR USE IN INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND FOR INHIBITING THE AGGREGATION OF BLOOD PLATELETS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-24 — — US disclosed
US-20020082253-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-27 — — US disclosed
US-6319937-B1 INHIBITION OF PLATELET AGGREGATION, AS THROMBOLYTICS, AND/OR TREATMENT OF THROMBOEMBOLIC DISORDERS. DUPONT PHARMACEUTICALS COMPANY 2001-11-20 — — 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-20020082253-A1 Novel isoxazoline fibrinogen receptor antagonists FGB, F2, F13B ACHE 3169/4885DGAT1 3596/4885CXCR4 978/4885

“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.

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